| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.4 | Low | 78.4 | Confident | 182 Ų | 182 | 86.8 Ų | 86.8 | 90% | 0.897 | 43% | 0.43 | S | S | * | . | 0 | 117.1 | 0 | -158.5 | 175.4 | -172.7 | 0 | 0 | 107.2 | V51 D54 | M1-V51 HydrophobicContact CE-CG1 4.45Å; M1-D54 HydrophobicContact CE-CB 4.19Å; M1-D54 WeakPolarHBondContact CE-OD1 3.44Å | |||
| 2 | V | 57.8 | Low | 79.9 | Confident | 134 Ų | 134 | 79.6 Ų | 79.6 | 81% | 0.812 | 39% | 0.394 | S | S | * | . | trans | -87 | 114.3 | 178.7 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | K4 | V2-K4 PolarHBondContact O-N 3.47Š| ||
| 3 | I | 58.6 | Low | 81.2 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | trans | -67.1 | 114.1 | 178.2 | -64.5 | 169.3 | 0 | 0 | 0 | 107.9 | L56 | I3-L56 HydrophobicContact CD1-CB 4.24Å; I3-L56 HydrophobicContact CD1-CD2 4.15Å; I3-L56 HydrophobicContact CG2-CB 3.58Å | ||
| 4 | K | 62.2 | Low | 82.3 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | trans | -71.5 | -34.1 | -171 | -74.5 | 178.8 | 175.7 | 169 | 0 | 114 | V2 | V2-K4 PolarHBondContact O-N 3.47Š| ||
| 5 | K | 72.6 | Confident | 83.2 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | trans | -162.3 | 144.4 | -179.9 | -164.5 | 178.5 | 177.9 | -166.8 | 0 | 109 | L56 | K5-L56 PolarHBondContact O-N 3.44Š| ||
| 6 | K | 82.5 | Confident | 84 | Confident | 168 Ų | 168 | 61.9 Ų | 61.9 | 73% | 0.73 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.2 | 166.8 | -67.5 | -177.1 | 180 | 179.6 | 0 | 108.1 | L56 | K6-L56 WeakPolarHBondContact CA-O 3.39Å; K6-L56 HydrophobicContact CG-CD2 4.46Å |
| 7 | I | 91.6 | Very high | 84.5 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.2 | 174.6 | -60.7 | -179.8 | 0 | 0 | 0 | 107.5 | L9 R55 L56 V57 T58 I174 | I7-L9 HydrophobicContact CG2-CD2 3.62Å; I7-L9 HydrophobicContact CG2-CG 3.93Å; I7-R55 HydrophobicContact CD1-CB 4.41Å; I7-L56 PolarHBondContact N-O 3.01Å; I7-V57 CarbonylContact O-C 3.6Å; I7-V57 WeakPolarHBondContact O-CA 3.4Å; I7-T58 PolarHBondContact O-N 3.49Å; I7-I174 HydrophobicContact CD1-CG1 4.43Å |
| 8 | S | 93.8 | Very high | 85.1 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.8 | 170.6 | -175 | 0 | 0 | 0 | 0 | 108 | T58 Q60 | S8-T58 CarbonylContact C-O 3.5Å; S8-T58 WeakPolarHBondContact CA-O 3.14Å; S8-Q60 PolarHBondContact OG-NE2 3.47Å |
| 9 | L | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.1 | 180 | -58.3 | 174.1 | 0 | 0 | 0 | 109.8 | I7 I11 V57 T58 M59 Q60 D82 I170 A173 I174 | I7-L9 HydrophobicContact CG2-CD2 3.62Å; I7-L9 HydrophobicContact CG2-CG 3.93Å; L9-I11 HydrophobicContact CB-CD1 4.15Å; L9-V57 HydrophobicContact CD1-CG1 3.43Å; L9-V57 VanDerWaalsContact CD1-CG1 3.43Å; L9-V57 HydrophobicContact CG-CG1 3.92Å; L9-T58 PolarHBondContact N-O 3.22Å; L9-M59 CarbonylContact O-C 3.57Å; L9-M59 WeakPolarHBondContact O-CA 3.39Å; L9-Q60 PolarHBondContact O-N 2.97Å; L9-D82 VanDerWaalsContact CA-OD2 3.32Å; L9-D82 WeakPolarHBondContact CA-OD2 3.33Å; L9-D82 HydrophobicContact CD2-CB 4.39Å; L9-I170 HydrophobicContact CD1-CG2 4.15Å; L9-A173 HydrophobicContact CD1-CB 3.99Å; L9-A173 HydrophobicContact CD2-CB 4.08Å; L9-A173 HydrophobicContact CG-CB 4.43Å; L9-I174 HydrophobicContact CD1-CD1 4.5Å; L9-I174 HydrophobicContact CD1-CG1 3.84Å; L9-I174 HydrophobicContact CD2-CG1 4.29Å |
| 10 | K | 95.6 | Very high | 86.3 | Confident | 36 Ų | 36 | 52.8 Ų | 52.8 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.7 | 175.2 | -177.6 | 170.2 | 172 | -175.9 | 0 | 110 | I12 F77 R79 G80 A81 D82 C83 | K10-I12 HydrophobicContact CG-CD1 4.22Å; K10-F77 WeakPolarHBondContact CE-O 3.37Å; K10-F77 PolarHBondContact NZ-O 2.99Å; K10-R79 PolarHBondContact NZ-O 3.48Å; K10-G80 WeakPolarHBondContact CD-O 3.37Å; K10-A81 CarbonylContact O-C 3.56Å; K10-A81 WeakPolarHBondContact O-CA 3.31Å; K10-D82 PolarHBondContact N-OD2 3.11Å; K10-D82 PolarHBondContact O-N 3.4Å; K10-C83 PolarHBondContact O-N 3.01Å |
| 11 | I | 97.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.2 | -178 | -47.1 | -56.7 | 0 | 0 | 0 | 108.6 | L9 M59 Q60 I61 W62 C83 V85 I169 A173 | L9-I11 HydrophobicContact CB-CD1 4.15Å; I11-M59 HydrophobicContact CG1-CE 3.97Å; I11-Q60 PolarHBondContact N-O 2.97Å; I11-I61 HydrophobicContact CB-CG1 4.35Å; I11-I61 WeakPolarHBondContact O-CA 3.27Å; I11-W62 PolarHBondContact O-N 3.18Å; I11-C83 WeakPolarHBondContact CA-O 3.47Å; I11-C83 HydrophobicContact CD1-CB 3.86Å; I11-V85 HydrophobicContact CG2-CG2 3.77Å; I11-I169 HydrophobicContact CD1-CG2 3.7Å; I11-I169 HydrophobicContact CG1-CG2 4.02Å; I11-I169 HydrophobicContact CG2-CG2 3.74Å; I11-A173 HydrophobicContact CD1-CB 3.94Å |
| 12 | I | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.5 | 174.5 | -52.2 | -56.6 | 0 | 0 | 0 | 108.8 | K10 I14 W62 T64 Y78 A81 C83 C84 V85 F106 | K10-I12 HydrophobicContact CG-CD1 4.22Å; I12-I14 HydrophobicContact CG2-CG2 3.57Å; I12-W62 HydrophobicContact CD1-CB 3.57Å; I12-W62 HydrophobicContact CD1-CG 3.68Å; I12-T64 HydrophobicContact CG2-CG2 4.06Å; I12-Y78 HydrophobicContact CG2-CD1 3.7Å; I12-Y78 HydrophobicContact CG2-CE1 3.69Å; I12-A81 HydrophobicContact CD1-CB 4.42Å; I12-A81 HydrophobicContact CG1-CB 3.57Å; I12-C83 PolarHBondContact N-O 2.79Å; I12-C84 CarbonylContact O-C 3.57Å; I12-C84 WeakPolarHBondContact O-CA 3.38Å; I12-V85 PolarHBondContact O-N 3.33Å; I12-F106 HydrophobicContact CB-CE2 3.98Å; I12-F106 HydrophobicContact CG1-CE2 3.97Å; I12-F106 HydrophobicContact CG2-CD2 4.47Å; I12-F106 HydrophobicContact CG2-CE2 4.23Å |
| 13 | V | 97.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.7 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | K21 I25 I61 W62 T64 V85 V87 | V13-K21 HydrophobicContact CG1-CB 3.9Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.98Å; V13-I25 HydrophobicContact CB-CD1 4.11Å; V13-I25 HydrophobicContact CG1-CD1 4.43Å; V13-I25 HydrophobicContact CG2-CD1 3.9Å; V13-I25 HydrophobicContact CG2-CG1 4.26Å; V13-I61 HydrophobicContact CG2-CG2 3.81Å; V13-W62 PolarHBondContact N-O 3.16Å; V13-T64 PolarHBondContact O-N 2.83Å; V13-T64 PolarHBondContact O-OG1 2.87Å; V13-V85 HydrophobicContact CG1-CB 4.29Å; V13-V85 HydrophobicContact CG2-CB 4.22Å; V13-V85 HydrophobicContact CG2-CG2 4.36Å; V13-V87 HydrophobicContact CG1-CG2 3.61Å |
| 14 | I | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 166.3 | -176.1 | 71.6 | -177.8 | 0 | 0 | 0 | 111.9 | I12 K21 T64 Y78 C84 V85 L86 V87 W102 F106 | I12-I14 HydrophobicContact CG2-CG2 3.57Å; I14-K21 VanDerWaalsContact C-CD 3.47Å; I14-T64 HydrophobicContact CG2-CG2 4.27Å; I14-Y78 HydrophobicContact CG2-CE1 3.99Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.29Å; I14-C84 VanDerWaalsContact CD1-SG 3.51Å; I14-V85 PolarHBondContact N-O 3.11Å; I14-L86 HydrophobicContact CD1-CD2 3.7Å; I14-L86 HydrophobicContact CG1-CD2 3.7Å; I14-V87 PolarHBondContact O-N 2.99Å; I14-W102 HydrophobicContact CB-CD2 4.44Å; I14-W102 HydrophobicContact CB-CE3 3.88Å; I14-W102 HydrophobicContact CB-CZ3 4.18Å; I14-W102 HydrophobicContact CD1-CB 3.93Å; I14-W102 HydrophobicContact CD1-CE3 4.18Å; I14-W102 WeakPolarHBondContact CD1-O 3.45Å; I14-W102 HydrophobicContact CG1-CB 4.25Å; I14-W102 HydrophobicContact CG1-CE3 4.27Å; I14-F106 HydrophobicContact CD1-CB 3.84Å; I14-F106 HydrophobicContact CD1-CD2 4.38Å; I14-F106 HydrophobicContact CD1-CG 4.39Å |
| 15 | G | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | 137.5 | 169 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K21 G66 V87 W102 | G15-K21 PolarHBondContact O-NZ 3.07Å; G15-G66 VanDerWaalsContact O-CA 3.29Å; G15-G66 WeakPolarHBondContact O-CA 3.44Å; G15-V87 WeakPolarHBondContact CA-O 3.49Å; G15-W102 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 16 | D | 95.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 24 Ų | 24 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -56.8 | 162.6 | -174.2 | -79.2 | 18.2 | 0 | 0 | 0 | 113.9 | G18 V19 K21 T95 T98 W102 | D16-G18 PolarHBondContact O-N 2.81Å; D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; D16-K21 PolarHBondContact O-NZ 3.19Å; D16-T95 HydrophobicContact CB-CG2 3.78Å; D16-T95 WeakPolarHBondContact OD2-CA 3.38Å; D16-T98 VanDerWaalsContact CG-OG1 3.22Å; D16-T98 WeakPolarHBondContact OD1-CB 3.3Å; D16-T98 PolarHBondContact OD1-OG1 2.94Å; D16-T98 PolarHBondContact OD2-OG1 3.35Å; D16-W102 PolarHBondContact OD1-NE1 3.27Å |
| 17 | S | 93.6 | Very high | 96 | Very high | 31 Ų | 31 | 16.7 Ų | 16.7 | 22% | 0.217 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 137.1 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | V19 Y37 G66 Q67 | S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.08Å; S17-Y37 PolarHBondContact OG-OH 2.9Å; S17-G66 PolarHBondContact N-O 3.06Å; S17-Q67 VanDerWaalsContact CB-NE2 3.26Å; S17-Q67 PolarHBondContact OG-NE2 2.86Å |
| 18 | G | 94 | Very high | 96.3 | Very high | 24 Ų | 24 | 16.4 Ų | 16.4 | 25% | 0.247 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 1.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116.1 | D16 G20 K126 | D16-G18 PolarHBondContact O-N 2.81Å; G18-G20 PolarHBondContact O-N 3.35Å; G18-K126 VanDerWaalsContact O-CE 3.3Å; G18-K126 WeakPolarHBondContact O-CE 3.28Å; G18-K126 PolarHBondContact O-NZ 3.49Å |
| 19 | V | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -69.1 | -17.8 | 175 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | D16 S17 K21 V87 D89 T95 N125 | D16-V19 HydrophobicContact CB-CG1 3.78Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.44Å; S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.08Å; V19-K21 HydrophobicContact CG2-CD 4.4Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.28Å; V19-V87 HydrophobicContact CG2-CB 3.98Å; V19-V87 HydrophobicContact CG2-CG1 3.76Å; V19-D89 HydrophobicContact CB-CB 4.37Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; V19-T95 HydrophobicContact CG1-CG2 3.77Å; V19-N125 PolarHBondContact O-ND2 3.14Å |
| 20 | G | 97.1 | Very high | 96.4 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 11% | 0.113 | 11% | 0.114 | C | C | . | . | trans | 99.5 | 28.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G18 S23 L24 | G18-G20 PolarHBondContact O-N 3.35Å; G20-S23 WeakPolarHBondContact O-CB 3.39Å; G20-S23 PolarHBondContact O-N 3.25Å; G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.34Å | ||
| 21 | K | 96.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52 | -59.4 | 174.3 | -58.6 | -172.8 | -61.8 | -75 | 0 | 112 | V13 I14 G15 D16 V19 S23 L24 I25 D63 T64 V87 | V13-K21 HydrophobicContact CG1-CB 3.9Å; V13-K21 HydrophobicContact CG1-CD 4.15Å; V13-K21 HydrophobicContact CG1-CG 3.98Å; I14-K21 VanDerWaalsContact C-CD 3.47Å; G15-K21 PolarHBondContact O-NZ 3.07Å; D16-K21 PolarHBondContact O-NZ 3.19Å; V19-K21 HydrophobicContact CG2-CD 4.4Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.43Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-I25 VanDerWaalsContact O-CG1 3.3Å; K21-I25 WeakPolarHBondContact O-CG1 3.49Å; K21-I25 PolarHBondContact O-N 3.15Å; K21-D63 WeakPolarHBondContact CB-OD1 3.34Å; K21-T64 WeakPolarHBondContact CE-O 3.49Å; K21-V87 HydrophobicContact CG-CB 4.07Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.2Å |
| 22 | T | 95.7 | Very high | 96.3 | Very high | 46 Ų | 46 | 28.9 Ų | 28.9 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -54.3 | -44.7 | 174.8 | -38.7 | 0 | 0 | 0 | 0 | 111.6 | L24 I25 T26 T40 D63 | T22-L24 PolarHBondContact O-N 2.75Å; T22-I25 PolarHBondContact O-N 3.46Å; T22-T26 WeakPolarHBondContact O-CB 3.46Å; T22-T26 PolarHBondContact O-N 3.4Å; T22-T26 PolarHBondContact O-OG1 3.49Å; T22-T40 PolarHBondContact OG1-OG1 3.41Å; T22-D63 WeakPolarHBondContact CB-OD2 3.33Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D63 PolarHBondContact N-OD1 3.43Å; T22-D63 PolarHBondContact OG1-OD1 3.37Å; T22-D63 PolarHBondContact OG1-OD2 3.49Å |
| 23 | S | 97.3 | Very high | 96.2 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.9 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | G20 K21 Q27 | G20-S23 WeakPolarHBondContact O-CB 3.39Å; G20-S23 PolarHBondContact O-N 3.25Å; K21-S23 VanDerWaalsContact C-N 3.28Å; K21-S23 PolarHBondContact O-N 3.43Å; S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 PolarHBondContact O-N 3.39Å |
| 24 | L | 98.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.7 | -75.1 | 167 | 0 | 0 | 0 | 111.2 | G20 K21 T22 Q27 Y28 V87 I123 N125 C154 A156 V162 | G20-L24 WeakPolarHBondContact O-CG 3.35Å; G20-L24 PolarHBondContact O-N 3.34Å; K21-L24 PolarHBondContact O-N 3.33Å; K21-L24 VanDerWaalsContact O-N 3.16Å; T22-L24 PolarHBondContact O-N 2.75Å; L24-Q27 PolarHBondContact O-N 3.37Å; L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 2.72Å; L24-V87 HydrophobicContact CD1-CG1 3.73Å; L24-V87 HydrophobicContact CD1-CG2 4.21Å; L24-I123 HydrophobicContact CD1-CG2 3.9Å; L24-N125 HydrophobicContact CD1-CB 4.15Å; L24-C154 HydrophobicContact CD2-CB 3.81Å; L24-A156 HydrophobicContact CD2-CB 3.97Å; L24-A156 HydrophobicContact CG-CB 4.16Å; L24-V162 HydrophobicContact CD2-CG2 4.06Å |
| 25 | I | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -51 | 180 | -62.4 | 165.8 | 0 | 0 | 0 | 110.3 | V13 K21 T22 Q27 Y28 I29 F46 I61 D63 F166 | V13-I25 HydrophobicContact CB-CD1 4.11Å; V13-I25 HydrophobicContact CG1-CD1 4.43Å; V13-I25 HydrophobicContact CG2-CD1 3.9Å; V13-I25 HydrophobicContact CG2-CG1 4.26Å; K21-I25 VanDerWaalsContact O-CG1 3.3Å; K21-I25 WeakPolarHBondContact O-CG1 3.49Å; K21-I25 PolarHBondContact O-N 3.15Å; T22-I25 PolarHBondContact O-N 3.46Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.98Å; I25-Y28 PolarHBondContact O-N 3.44Å; I25-I29 HydrophobicContact CG2-CD1 3.63Å; I25-I29 HydrophobicContact CG2-CG1 4.36Å; I25-I29 WeakPolarHBondContact O-CB 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 2.81Å; I25-F46 HydrophobicContact CG2-CB 4.13Å; I25-F46 HydrophobicContact CG2-CD1 4.33Å; I25-F46 HydrophobicContact CG2-CD2 3.63Å; I25-F46 HydrophobicContact CG2-CE2 4.11Å; I25-F46 HydrophobicContact CG2-CG 3.76Å; I25-I61 HydrophobicContact CD1-CG2 3.83Å; I25-I61 HydrophobicContact CG1-CG2 3.85Å; I25-I61 HydrophobicContact CG2-CG2 4.09Å; I25-D63 HydrophobicContact CD1-CB 3.54Å; I25-F166 HydrophobicContact CG1-CZ 4.32Å |
| 26 | T | 95.9 | Very high | 95 | Very high | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.202 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | T22 D30 K31 K32 | T22-T26 WeakPolarHBondContact O-CB 3.46Å; T22-T26 PolarHBondContact O-N 3.4Å; T22-T26 PolarHBondContact O-OG1 3.49Å; T26-D30 HydrophobicContact CG2-CB 4.12Å; T26-D30 WeakPolarHBondContact O-CA 3.39Å; T26-D30 WeakPolarHBondContact O-CB 2.89Å; T26-D30 PolarHBondContact O-N 3.26Å; T26-K31 PolarHBondContact O-N 2.96Å; T26-K32 CarbonylContact C-O 3.57Å; T26-K32 HydrophobicContact CG2-CB 4.23Å; T26-K32 WeakPolarHBondContact CG2-O 3.35Å |
| 27 | Q | 97.5 | Very high | 94.5 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 176 | -177.4 | 57.4 | 33.1 | 0 | 0 | 111.7 | S23 L24 I25 K31 K32 A156 N159 V162 | S23-Q27 WeakPolarHBondContact O-CB 3.36Å; S23-Q27 PolarHBondContact O-N 3.39Å; L24-Q27 PolarHBondContact O-N 3.37Å; I25-Q27 VanDerWaalsContact C-N 3.3Å; I25-Q27 PolarHBondContact O-N 2.98Å; Q27-K31 VanDerWaalsContact O-CA 3.23Å; Q27-K31 WeakPolarHBondContact O-CA 3.2Å; Q27-K31 PolarHBondContact O-N 3.18Å; Q27-K32 WeakPolarHBondContact CA-O 3.43Å; Q27-K32 PolarHBondContact N-O 3.21Å; Q27-K32 PolarHBondContact OE1-O 3.14Å; Q27-A156 WeakPolarHBondContact CG-O 3.5Å; Q27-N159 HydrophobicContact CG-CB 4.35Å; Q27-N159 WeakPolarHBondContact CG-OD1 3.46Å; Q27-N159 PolarHBondContact NE2-OD1 3.09Å; Q27-V162 HydrophobicContact CB-CG1 4.47Å; Q27-V162 HydrophobicContact CG-CG1 4.29Å; Q27-V162 HydrophobicContact CG-CG2 4.15Å |
| 28 | Y | 98 | Very high | 94 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 178.2 | 175.9 | -121.2 | 0 | 0 | 0 | 113.1 | L24 I25 K31 K48 E50 M59 I61 E163 F166 | L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 2.72Å; I25-Y28 PolarHBondContact O-N 3.44Å; Y28-K31 WeakPolarHBondContact O-CE 3.27Å; Y28-K31 PolarHBondContact O-NZ 3.08Å; Y28-K48 HydrophobicContact CD1-CD 4.04Å; Y28-K48 HydrophobicContact CE1-CD 3.56Å; Y28-K48 PolarHBondContact O-NZ 3.02Å; Y28-E50 PolarHBondContact OH-OE2 3.45Å; Y28-M59 HydrophobicContact CE1-CE 4.29Å; Y28-M59 HydrophobicContact CE1-SD 4.03Å; Y28-I61 HydrophobicContact CD1-CD1 4.13Å; Y28-I61 HydrophobicContact CE1-CD1 4.18Å; Y28-E163 WeakPolarHBondContact CD2-OE1 3.5Å; Y28-E163 WeakPolarHBondContact CE2-OE2 3.5Å; Y28-F166 HydrophobicContact CD1-CB 3.96Å; Y28-F166 AromaticContact CD1-CD1 3.28Å; Y28-F166 HydrophobicContact CD1-CD1 3.28Å; Y28-F166 AromaticContact CD1-CD2 3.89Å; Y28-F166 HydrophobicContact CD1-CD2 3.89Å; Y28-F166 AromaticContact CD1-CE1 3.62Å; Y28-F166 HydrophobicContact CD1-CE1 3.62Å; Y28-F166 HydrophobicContact CD1-CE2 4.18Å; Y28-F166 AromaticContact CD1-CG 3.44Å; Y28-F166 HydrophobicContact CD1-CG 3.44Å; Y28-F166 VanDerWaalsContact CD1-CG 3.44Å; Y28-F166 HydrophobicContact CD1-CZ 4.05Å; Y28-F166 HydrophobicContact CD2-CB 3.58Å; Y28-F166 HydrophobicContact CD2-CD1 4.41Å; Y28-F166 AromaticContact CD2-CD2 3.87Å; Y28-F166 HydrophobicContact CD2-CD2 3.87Å; Y28-F166 AromaticContact CD2-CG 3.71Å; Y28-F166 HydrophobicContact CD2-CG 3.71Å; Y28-F166 HydrophobicContact CE1-CB 3.71Å; Y28-F166 AromaticContact CE1-CD1 3.38Å; Y28-F166 HydrophobicContact CE1-CD1 3.38Å; Y28-F166 HydrophobicContact CE1-CD2 4.49Å; Y28-F166 HydrophobicContact CE1-CE1 4.09Å; Y28-F166 AromaticContact CE1-CG 3.62Å; Y28-F166 HydrophobicContact CE1-CG 3.62Å; Y28-F166 HydrophobicContact CE2-CB 3.36Å; Y28-F166 AromaticContact CE2-CG 3.94Å; Y28-F166 HydrophobicContact CE2-CG 3.94Å; Y28-F166 HydrophobicContact CG-CB 3.9Å; Y28-F166 AromaticContact CG-CD1 3.84Å; Y28-F166 HydrophobicContact CG-CD1 3.84Å; Y28-F166 AromaticContact CG-CD2 3.53Å; Y28-F166 HydrophobicContact CG-CD2 3.53Å; Y28-F166 HydrophobicContact CG-CE1 4.22Å; Y28-F166 AromaticContact CG-CE2 3.94Å; Y28-F166 HydrophobicContact CG-CE2 3.94Å; Y28-F166 AromaticContact CG-CG 3.47Å; Y28-F166 HydrophobicContact CG-CG 3.47Å; Y28-F166 VanDerWaalsContact CG-CG 3.47Å; Y28-F166 HydrophobicContact CG-CZ 4.26Å; Y28-F166 VanDerWaalsContact CZ-CB 3.42Å; Y28-F166 AromaticContact CZ-CG 3.89Å |
| 29 | I | 96.3 | Very high | 93.5 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 18% | 0.179 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -85.3 | -56.5 | -174.4 | -60.9 | 179.6 | 0 | 0 | 0 | 111.2 | I25 F46 K48 I61 | I25-I29 HydrophobicContact CG2-CD1 3.63Å; I25-I29 HydrophobicContact CG2-CG1 4.36Å; I25-I29 WeakPolarHBondContact O-CB 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 2.81Å; I29-F46 HydrophobicContact CD1-CB 3.28Å; I29-F46 HydrophobicContact CD1-CD1 4.22Å; I29-F46 HydrophobicContact CD1-CG 3.96Å; I29-K48 HydrophobicContact CG1-CB 4.33Å; I29-K48 HydrophobicContact CG1-CD 4.15Å; I29-I61 HydrophobicContact CD1-CD1 3.97Å; I29-I61 HydrophobicContact CG1-CD1 4.37Å |
| 30 | D | 95.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -96.3 | -6.3 | -170.6 | -61.1 | -38.6 | 0 | 0 | 0 | 113.3 | T26 K32 | T26-D30 HydrophobicContact CG2-CB 4.12Å; T26-D30 WeakPolarHBondContact O-CA 3.39Å; T26-D30 WeakPolarHBondContact O-CB 2.89Å; T26-D30 PolarHBondContact O-N 3.26Å; D30-K32 HydrophobicContact CB-CB 4.28Å; D30-K32 HydrophobicContact CB-CD 4.24Å; D30-K32 HydrophobicContact CB-CG 4.41Å; D30-K32 WeakPolarHBondContact O-CG 3.29Å; D30-K32 PolarHBondContact O-N 3.48Å |
| 31 | K | 96.1 | Very high | 91.8 | Very high | 107 Ų | 107 | 69.7 Ų | 69.7 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 56.4 | 36.3 | -174.1 | -49.1 | -61.3 | 174.9 | 174.5 | 0 | 112.1 | T26 Q27 Y28 E163 | T26-K31 PolarHBondContact O-N 2.96Å; Q27-K31 VanDerWaalsContact O-CA 3.23Å; Q27-K31 WeakPolarHBondContact O-CA 3.2Å; Q27-K31 PolarHBondContact O-N 3.18Å; Y28-K31 WeakPolarHBondContact O-CE 3.27Å; Y28-K31 PolarHBondContact O-NZ 3.08Å; K31-E163 IonicContact NZ-OE1 2.67Å; K31-E163 PolarHBondContact NZ-OE1 3.42Å; K31-E163 IonicContact NZ-OE2 3.64Å; K31-E163 PolarHBondContact NZ-OE2 3.3Å |
| 32 | K | 94.5 | Very high | 91 | Very high | 140 Ų | 140 | 69.4 Ų | 69.4 | 61% | 0.609 | 35% | 0.349 | S | S | * | . | trans | -129.8 | 145.4 | -176.1 | -73.5 | 172.5 | -171.7 | 172.4 | 0 | 111.5 | T26 Q27 D30 | T26-K32 CarbonylContact C-O 3.57Å; T26-K32 HydrophobicContact CG2-CB 4.23Å; T26-K32 WeakPolarHBondContact CG2-O 3.35Å; Q27-K32 WeakPolarHBondContact CA-O 3.43Å; Q27-K32 PolarHBondContact N-O 3.21Å; Q27-K32 PolarHBondContact OE1-O 3.14Å; D30-K32 HydrophobicContact CB-CB 4.28Å; D30-K32 HydrophobicContact CB-CD 4.24Å; D30-K32 HydrophobicContact CB-CG 4.41Å; D30-K32 WeakPolarHBondContact O-CG 3.29Å; D30-K32 PolarHBondContact O-N 3.48Å | ||
| 33 | F | 94.7 | Very high | 90.5 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | trans | -126.7 | 144.2 | 170.1 | 175.6 | -98.6 | 0 | 0 | 0 | 110.2 | N35 A156 K157 | F33-N35 WeakPolarHBondContact CE1-OD1 3.24Å; F33-A156 HydrophobicContact CD2-CB 4.22Å; F33-A156 HydrophobicContact CE2-CB 4.43Å; F33-K157 HydrophobicContact CD1-CB 4.1Å; F33-K157 HydrophobicContact CD1-CG 3.94Å; F33-K157 HydrophobicContact CD2-CB 4.18Å; F33-K157 HydrophobicContact CE1-CB 3.82Å; F33-K157 HydrophobicContact CE1-CD 3.86Å; F33-K157 HydrophobicContact CE1-CG 3.66Å; F33-K157 HydrophobicContact CE2-CB 3.93Å; F33-K157 HydrophobicContact CG-CB 4.26Å; F33-K157 HydrophobicContact CZ-CB 3.75Å; F33-K157 HydrophobicContact CZ-CD 4.15Å; F33-K157 HydrophobicContact CZ-CG 4.06Å | ||
| 34 | S | 91.1 | Very high | 90.1 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | trans | -132 | 133.9 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | Q36 | S34-Q36 PolarHBondContact O-N 2.96Å; S34-Q36 PolarHBondContact OG-N 2.87Å | ||
| 35 | N | 88.3 | Confident | 89.6 | Confident | 136 Ų | 136 | 76.6 Ų | 76.6 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -74 | -12.5 | 172.6 | -75.7 | -50.8 | 0 | 0 | 0 | 112.9 | F33 Y37 | F33-N35 WeakPolarHBondContact CE1-OD1 3.24Å; N35-Y37 PolarHBondContact O-N 3.22Å; N35-Y37 VanDerWaalsContact O-N 3.13Å |
| 36 | Q | 85.2 | Confident | 89.5 | Confident | 170 Ų | 170 | 78.5 Ų | 78.5 | 79% | 0.794 | 39% | 0.389 | S | S | * | . | trans | -75.1 | 106.5 | -179.9 | -66 | -179.8 | 6 | 0 | 0 | 109.6 | S34 K38 | S34-Q36 PolarHBondContact O-N 2.96Å; S34-Q36 PolarHBondContact OG-N 2.87Å; Q36-K38 PolarHBondContact O-N 3.04Å | ||
| 37 | Y | 84 | Confident | 89.4 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | trans | -73.8 | 123 | 172.8 | 177.1 | -103.7 | 0 | 0 | 0 | 110.6 | S17 N35 A39 | S17-Y37 PolarHBondContact OG-OH 2.9Å; N35-Y37 PolarHBondContact O-N 3.22Å; N35-Y37 VanDerWaalsContact O-N 3.13Å; Y37-A39 HydrophobicContact CE1-CB 4.26Å | ||
| 38 | K | 83.2 | Confident | 89.3 | Confident | 185 Ų | 185 | 81.2 Ų | 81.2 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | trans | -127.3 | 125.3 | 168 | -173.4 | -179.9 | 178.7 | -174.2 | 0 | 108 | Q36 T40 | Q36-K38 PolarHBondContact O-N 3.04Å; K38-T40 PolarHBondContact O-N 3.37Å | ||
| 39 | A | 84.3 | Confident | 89.1 | Confident | 38 Ų | 38 | 87 Ų | 87 | 31% | 0.314 | 43% | 0.432 | S | S | . | . | trans | -66 | 127.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y37 | Y37-A39 HydrophobicContact CE1-CB 4.26Š| ||
| 40 | T | 79.2 | Confident | 89 | Confident | 28 Ų | 28 | 88.7 Ų | 88.7 | 17% | 0.172 | 44% | 0.438 | C | S | . | . | trans | -67.5 | 129.6 | 167.6 | -50.1 | 0 | 0 | 0 | 0 | 109 | T22 K38 D63 A65 | T22-T40 PolarHBondContact OG1-OG1 3.41Å; K38-T40 PolarHBondContact O-N 3.37Å; T40-D63 PolarHBondContact OG1-OD2 2.95Å; T40-D63 VanDerWaalsContact OG1-OD2 3.11Å; T40-A65 WeakPolarHBondContact O-CB 3.43Å | ||
| 41 | I | 78.6 | Confident | 88.8 | Confident | 117 Ų | 117 | 88.7 Ų | 88.7 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | trans | -104.5 | 120.9 | 176.4 | -60.1 | 175.9 | 0 | 0 | 0 | 107.2 | A43 F70 | I41-A43 PolarHBondContact O-N 3.43Å; I41-F70 HydrophobicContact CG1-CE2 4.27Å; I41-F70 HydrophobicContact CG2-CD1 4.29Å; I41-F70 HydrophobicContact CG2-CE1 4.36Å; I41-F70 HydrophobicContact CG2-CG 4.49Å | ||
| 42 | G | 81.1 | Confident | 88.6 | Confident | 6 Ų | 6 | 85.9 Ų | 85.9 | 6% | 0.062 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 71 | -119.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A65 | G42-A65 VanDerWaalsContact O-CB 3.28Å; G42-A65 WeakPolarHBondContact O-CB 3.28Å; G42-A65 PolarHBondContact O-N 3.32Å |
| 43 | A | 84.9 | Confident | 88.3 | Confident | 27 Ų | 27 | 84.4 Ų | 84.4 | 22% | 0.223 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I41 W62 D63 T64 F77 | I41-A43 PolarHBondContact O-N 3.43Å; A43-W62 HydrophobicContact CB-CE3 4.07Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.48Å; A43-T64 HydrophobicContact CB-CG2 4.49Å; A43-F77 HydrophobicContact CB-CD2 3.61Å; A43-F77 HydrophobicContact CB-CE2 3.87Å; A43-F77 HydrophobicContact CB-CG 4.48Å |
| 44 | D | 88.5 | Confident | 87.9 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 152.8 | 169.4 | -154.5 | -9.6 | 0 | 0 | 0 | 108.7 | F46 W62 D63 | D44-F46 HydrophobicContact CB-CE2 4.1Å; D44-W62 CarbonylContact O-C 3.58Å; D44-W62 WeakPolarHBondContact O-CA 2.96Å; D44-D63 PolarHBondContact N-O 2.63Å; D44-D63 PolarHBondContact O-N 3.33Å |
| 45 | F | 88.4 | Confident | 87.7 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.4 | -178.6 | 81.7 | -85.8 | 0 | 0 | 0 | 110.7 | I61 W62 | F45-I61 WeakPolarHBondContact CA-O 3.45Å; F45-W62 HydrophobicContact CB-CD2 4.09Å; F45-W62 HydrophobicContact CB-CE3 4.08Å; F45-W62 HydrophobicContact CB-CH2 4.29Å; F45-W62 HydrophobicContact CB-CZ2 4.3Å; F45-W62 HydrophobicContact CB-CZ3 4.17Å |
| 46 | F | 94.3 | Very high | 88 | Confident | 41 Ų | 41 | 79.3 Ų | 79.3 | 18% | 0.18 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.6 | 177.8 | -58 | -98.1 | 0 | 0 | 0 | 109.4 | I25 I29 D44 I61 D63 | I25-F46 HydrophobicContact CG2-CB 4.13Å; I25-F46 HydrophobicContact CG2-CD1 4.33Å; I25-F46 HydrophobicContact CG2-CD2 3.63Å; I25-F46 HydrophobicContact CG2-CE2 4.11Å; I25-F46 HydrophobicContact CG2-CG 3.76Å; I29-F46 HydrophobicContact CD1-CB 3.28Å; I29-F46 HydrophobicContact CD1-CD1 4.22Å; I29-F46 HydrophobicContact CD1-CG 3.96Å; D44-F46 HydrophobicContact CB-CE2 4.1Å; F46-I61 PolarHBondContact N-O 3.05Å; F46-I61 PolarHBondContact O-N 3.35Å; F46-D63 HydrophobicContact CD2-CB 4.32Å; F46-D63 HydrophobicContact CE2-CB 3.78Å |
| 47 | T | 94.6 | Very high | 88.4 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.9 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 110 | T58 M59 | T47-T58 HydrophobicContact CG2-CG2 3.73Å; T47-M59 VanDerWaalsContact CA-O 3.29Å; T47-M59 WeakPolarHBondContact CA-O 3.44Å |
| 48 | K | 95.1 | Very high | 89 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.3 | 170.8 | -175.9 | 171.6 | 172.4 | -177.6 | 0 | 109.7 | Y28 I29 E50 M59 | Y28-K48 HydrophobicContact CD1-CD 4.04Å; Y28-K48 HydrophobicContact CE1-CD 3.56Å; Y28-K48 PolarHBondContact O-NZ 3.02Å; I29-K48 HydrophobicContact CG1-CB 4.33Å; I29-K48 HydrophobicContact CG1-CD 4.15Å; K48-E50 IonicContact NZ-OE2 3.56Å; K48-M59 PolarHBondContact N-O 3.19Å; K48-M59 PolarHBondContact O-N 2.99Å |
| 49 | Q | 94.6 | Very high | 89.6 | Confident | 123 Ų | 123 | 57 Ų | 57 | 58% | 0.575 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131 | 171.6 | -70.1 | -175.1 | -2 | 0 | 0 | 109.5 | L56 V57 T58 | Q49-L56 HydrophobicContact CB-CD1 4.33Å; Q49-V57 VanDerWaalsContact CA-O 3.28Å; Q49-V57 WeakPolarHBondContact CA-O 3.48Å; Q49-T58 HydrophobicContact CG-CG2 4.21Å |
| 50 | E | 93.1 | Very high | 90.2 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 152.5 | 178.8 | -168.3 | 163.5 | -177.8 | 0 | 0 | 110 | Y28 K48 V57 | Y28-E50 PolarHBondContact OH-OE2 3.45Å; K48-E50 IonicContact NZ-OE2 3.56Å; E50-V57 PolarHBondContact N-O 3.06Å; E50-V57 PolarHBondContact O-N 3.4Å |
| 51 | V | 91.9 | Very high | 91 | Very high | 81 Ų | 81 | 57.1 Ų | 57.1 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.2 | 173.9 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | M1 R55 L56 | M1-V51 HydrophobicContact CE-CG1 4.45Å; V51-R55 WeakPolarHBondContact CA-O 3.34Å; V51-L56 HydrophobicContact CG2-CD1 4.41Å |
| 52 | F | 90.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.8 | 178.2 | -168.7 | -86.2 | 0 | 0 | 0 | 108.7 | D54 R55 V57 A167 I170 I174 | F52-D54 PolarHBondContact O-N 3.13Å; F52-R55 PolarHBondContact N-O 3.29Å; F52-R55 WeakPolarHBondContact O-CB 3.32Å; F52-R55 PolarHBondContact O-N 3.42Å; F52-V57 HydrophobicContact CB-CG2 3.88Å; F52-A167 WeakPolarHBondContact CE2-O 3.25Å; F52-I170 HydrophobicContact CB-CG2 3.85Å; F52-I170 HydrophobicContact CD1-CG2 3.88Å; F52-I170 HydrophobicContact CD2-CB 4.1Å; F52-I170 HydrophobicContact CD2-CD1 4.41Å; F52-I170 HydrophobicContact CD2-CG2 3.64Å; F52-I170 HydrophobicContact CE1-CG2 4.33Å; F52-I170 HydrophobicContact CE2-CB 4.23Å; F52-I170 HydrophobicContact CE2-CG2 4.12Å; F52-I170 HydrophobicContact CG-CB 4.44Å; F52-I170 HydrophobicContact CG-CG2 3.51Å; F52-I170 HydrophobicContact CZ-CG2 4.44Å; F52-I174 HydrophobicContact CD1-CD1 3.67Å; F52-I174 HydrophobicContact CE1-CD1 4.23Å; F52-I174 HydrophobicContact CG-CD1 4.36Å |
| 53 | D | 88.2 | Confident | 92.4 | Very high | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 54.1 | -174.5 | -59.3 | -26 | 0 | 0 | 0 | 113.8 | R55 | D53-R55 PolarHBondContact O-N 3.1Å; D53-R55 IonicContact OD2-NH2 3.58Å |
| 54 | D | 86.4 | Confident | 92.6 | Very high | 87 Ų | 87 | 51.7 Ų | 51.7 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 14 | -178 | -57.5 | -32.8 | 0 | 0 | 0 | 115.9 | M1 F52 | M1-D54 HydrophobicContact CE-CB 4.19Å; M1-D54 WeakPolarHBondContact CE-OD1 3.44Å; F52-D54 PolarHBondContact O-N 3.13Å |
| 55 | R | 88.8 | Confident | 92.4 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.5 | 177.4 | -62.6 | 172.8 | -70.6 | 178.8 | -7.8 | 109.8 | I7 V51 F52 D53 V57 | I7-R55 HydrophobicContact CD1-CB 4.41Å; V51-R55 WeakPolarHBondContact CA-O 3.34Å; F52-R55 PolarHBondContact N-O 3.29Å; F52-R55 WeakPolarHBondContact O-CB 3.32Å; F52-R55 PolarHBondContact O-N 3.42Å; D53-R55 PolarHBondContact O-N 3.1Å; D53-R55 IonicContact OD2-NH2 3.58Å; R55-V57 PolarHBondContact O-N 3.48Å |
| 56 | L | 92.5 | Very high | 91.8 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112.4 | 172.4 | -179 | 66.2 | 0 | 0 | 0 | 108.3 | I3 K5 K6 I7 Q49 V51 | I3-L56 HydrophobicContact CD1-CB 4.24Å; I3-L56 HydrophobicContact CD1-CD2 4.15Å; I3-L56 HydrophobicContact CG2-CB 3.58Å; K5-L56 PolarHBondContact O-N 3.44Å; K6-L56 WeakPolarHBondContact CA-O 3.39Å; K6-L56 HydrophobicContact CG-CD2 4.46Å; I7-L56 PolarHBondContact N-O 3.01Å; Q49-L56 HydrophobicContact CB-CD1 4.33Å; V51-L56 HydrophobicContact CG2-CD1 4.41Å |
| 57 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.9 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | I7 L9 Q49 E50 F52 R55 M59 I170 I174 | I7-V57 CarbonylContact O-C 3.6Å; I7-V57 WeakPolarHBondContact O-CA 3.4Å; L9-V57 HydrophobicContact CD1-CG1 3.43Å; L9-V57 VanDerWaalsContact CD1-CG1 3.43Å; L9-V57 HydrophobicContact CG-CG1 3.92Å; Q49-V57 VanDerWaalsContact CA-O 3.28Å; Q49-V57 WeakPolarHBondContact CA-O 3.48Å; E50-V57 PolarHBondContact N-O 3.06Å; E50-V57 PolarHBondContact O-N 3.4Å; F52-V57 HydrophobicContact CB-CG2 3.88Å; R55-V57 PolarHBondContact O-N 3.48Å; V57-M59 HydrophobicContact CG1-CG 4Å; V57-I170 HydrophobicContact CG1-CG2 4.24Å; V57-I170 HydrophobicContact CG2-CG2 4.24Å; V57-I174 HydrophobicContact CG2-CD1 3.93Å |
| 58 | T | 95.5 | Very high | 89.7 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 108.7 | 168 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | I7 S8 L9 T47 Q49 | I7-T58 PolarHBondContact O-N 3.49Å; S8-T58 CarbonylContact C-O 3.5Å; S8-T58 WeakPolarHBondContact CA-O 3.14Å; L9-T58 PolarHBondContact N-O 3.22Å; T47-T58 HydrophobicContact CG2-CG2 3.73Å; Q49-T58 HydrophobicContact CG-CG2 4.21Å |
| 59 | M | 96.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 129 | 175 | -58.5 | 175.2 | 73.7 | 0 | 0 | 109.9 | L9 I11 Y28 T47 K48 V57 I61 F166 I169 I170 | L9-M59 CarbonylContact O-C 3.57Å; L9-M59 WeakPolarHBondContact O-CA 3.39Å; I11-M59 HydrophobicContact CG1-CE 3.97Å; Y28-M59 HydrophobicContact CE1-CE 4.29Å; Y28-M59 HydrophobicContact CE1-SD 4.03Å; T47-M59 VanDerWaalsContact CA-O 3.29Å; T47-M59 WeakPolarHBondContact CA-O 3.44Å; K48-M59 PolarHBondContact N-O 3.19Å; K48-M59 PolarHBondContact O-N 2.99Å; V57-M59 HydrophobicContact CG1-CG 4Å; M59-I61 HydrophobicContact CB-CD1 4.36Å; M59-I61 HydrophobicContact CB-CG1 4.13Å; M59-I61 HydrophobicContact CE-CD1 4.08Å; M59-I61 HydrophobicContact CE-CG1 4.21Å; M59-F166 HydrophobicContact CE-CD1 4.08Å; M59-I169 HydrophobicContact CE-CG2 4.42Å; M59-I170 HydrophobicContact CE-CD1 4.27Å; M59-I170 HydrophobicContact CE-CG1 3.68Å; M59-I170 HydrophobicContact CG-CG1 4.24Å; M59-I170 HydrophobicContact SD-CD1 3.51Å; M59-I170 VanDerWaalsContact SD-CD1 3.51Å; M59-I170 HydrophobicContact SD-CG1 3.45Å; M59-I170 WeakPolarHBondContact SD-CG1 3.24Å |
| 60 | Q | 96.2 | Very high | 87.7 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 100.3 | 167.1 | -59.6 | 178 | 17.2 | 0 | 0 | 107.4 | S8 L9 I11 | S8-Q60 PolarHBondContact OG-NE2 3.47Å; L9-Q60 PolarHBondContact O-N 2.97Å; I11-Q60 PolarHBondContact N-O 2.97Å |
| 61 | I | 97.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.6 | -176 | -57 | 162.7 | 0 | 0 | 0 | 108.2 | I11 V13 I25 Y28 I29 F45 F46 M59 F166 | I11-I61 HydrophobicContact CB-CG1 4.35Å; I11-I61 WeakPolarHBondContact O-CA 3.27Å; V13-I61 HydrophobicContact CG2-CG2 3.81Å; I25-I61 HydrophobicContact CD1-CG2 3.83Å; I25-I61 HydrophobicContact CG1-CG2 3.85Å; I25-I61 HydrophobicContact CG2-CG2 4.09Å; Y28-I61 HydrophobicContact CD1-CD1 4.13Å; Y28-I61 HydrophobicContact CE1-CD1 4.18Å; I29-I61 HydrophobicContact CD1-CD1 3.97Å; I29-I61 HydrophobicContact CG1-CD1 4.37Å; F45-I61 WeakPolarHBondContact CA-O 3.45Å; F46-I61 PolarHBondContact N-O 3.05Å; F46-I61 PolarHBondContact O-N 3.35Å; M59-I61 HydrophobicContact CB-CD1 4.36Å; M59-I61 HydrophobicContact CB-CG1 4.13Å; M59-I61 HydrophobicContact CE-CD1 4.08Å; M59-I61 HydrophobicContact CE-CG1 4.21Å; I61-F166 HydrophobicContact CD1-CD1 4.34Å; I61-F166 HydrophobicContact CD1-CE1 3.86Å |
| 62 | W | 95.2 | Very high | 85.7 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.2 | 178.4 | -68.9 | 79 | 0 | 0 | 0 | 109.8 | I11 I12 V13 A43 D44 F45 F77 | I11-W62 PolarHBondContact O-N 3.18Å; I12-W62 HydrophobicContact CD1-CB 3.57Å; I12-W62 HydrophobicContact CD1-CG 3.68Å; V13-W62 PolarHBondContact N-O 3.16Å; A43-W62 HydrophobicContact CB-CE3 4.07Å; D44-W62 CarbonylContact O-C 3.58Å; D44-W62 WeakPolarHBondContact O-CA 2.96Å; F45-W62 HydrophobicContact CB-CD2 4.09Å; F45-W62 HydrophobicContact CB-CE3 4.08Å; F45-W62 HydrophobicContact CB-CH2 4.29Å; F45-W62 HydrophobicContact CB-CZ2 4.3Å; F45-W62 HydrophobicContact CB-CZ3 4.17Å; W62-F77 HydrophobicContact CD2-CB 4.06Å; W62-F77 HydrophobicContact CD2-CG 4.39Å; W62-F77 HydrophobicContact CE3-CB 3.69Å; W62-F77 AromaticContact CE3-CD1 3.81Å; W62-F77 HydrophobicContact CE3-CD1 3.81Å; W62-F77 HydrophobicContact CE3-CD2 4.1Å; W62-F77 HydrophobicContact CE3-CE1 4.46Å; W62-F77 AromaticContact CE3-CG 3.59Å; W62-F77 HydrophobicContact CE3-CG 3.59Å; W62-F77 HydrophobicContact CH2-CB 4.44Å; W62-F77 AromaticContact CH2-CD1 3.24Å; W62-F77 HydrophobicContact CH2-CD1 3.24Å; W62-F77 AromaticContact CH2-CE1 3.55Å; W62-F77 HydrophobicContact CH2-CE1 3.55Å; W62-F77 AromaticContact CH2-CG 3.94Å; W62-F77 HydrophobicContact CH2-CG 3.94Å; W62-F77 HydrophobicContact CH2-CZ 4.46Å; W62-F77 HydrophobicContact CZ2-CD1 4.09Å; W62-F77 HydrophobicContact CZ3-CB 3.91Å; W62-F77 AromaticContact CZ3-CD1 3.08Å; W62-F77 HydrophobicContact CZ3-CD1 3.08Å; W62-F77 AromaticContact CZ3-CD2 3.88Å; W62-F77 HydrophobicContact CZ3-CD2 3.88Å; W62-F77 AromaticContact CZ3-CE1 3.41Å; W62-F77 HydrophobicContact CZ3-CE1 3.41Å; W62-F77 VanDerWaalsContact CZ3-CE1 3.41Å; W62-F77 HydrophobicContact CZ3-CE2 4.15Å; W62-F77 AromaticContact CZ3-CG 3.33Å; W62-F77 HydrophobicContact CZ3-CG 3.33Å; W62-F77 AromaticContact CZ3-CZ 3.93Å; W62-F77 HydrophobicContact CZ3-CZ 3.93Å |
| 63 | D | 93.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.7 | 169.8 | -174.7 | 32 | 0 | 0 | 0 | 109.2 | K21 T22 I25 T40 A43 D44 F46 | K21-D63 WeakPolarHBondContact CB-OD1 3.34Å; T22-D63 WeakPolarHBondContact CB-OD2 3.33Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.45Å; T22-D63 PolarHBondContact N-OD1 3.43Å; T22-D63 PolarHBondContact OG1-OD1 3.37Å; T22-D63 PolarHBondContact OG1-OD2 3.49Å; I25-D63 HydrophobicContact CD1-CB 3.54Å; T40-D63 PolarHBondContact OG1-OD2 2.95Å; T40-D63 VanDerWaalsContact OG1-OD2 3.11Å; A43-D63 CarbonylContact C-O 3.55Å; A43-D63 WeakPolarHBondContact CA-O 3.48Å; D44-D63 PolarHBondContact N-O 2.63Å; D44-D63 PolarHBondContact O-N 3.33Å; F46-D63 HydrophobicContact CD2-CB 4.32Å; F46-D63 HydrophobicContact CE2-CB 3.78Å |
| 64 | T | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 151.9 | -175.2 | 64.4 | 0 | 0 | 0 | 0 | 112 | I12 V13 I14 K21 A43 G66 Y78 | I12-T64 HydrophobicContact CG2-CG2 4.06Å; V13-T64 PolarHBondContact O-N 2.83Å; V13-T64 PolarHBondContact O-OG1 2.87Å; I14-T64 HydrophobicContact CG2-CG2 4.27Å; K21-T64 WeakPolarHBondContact CE-O 3.49Å; A43-T64 HydrophobicContact CB-CG2 4.49Å; T64-G66 PolarHBondContact O-N 3.37Å; T64-Y78 HydrophobicContact CG2-CE1 3.98Å |
| 65 | A | 84.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | trans | -62.8 | 128.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T40 G42 Q67 F70 | T40-A65 WeakPolarHBondContact O-CB 3.43Å; G42-A65 VanDerWaalsContact O-CB 3.28Å; G42-A65 WeakPolarHBondContact O-CB 3.28Å; G42-A65 PolarHBondContact O-N 3.32Å; A65-Q67 VanDerWaalsContact C-N 3.31Å; A65-F70 HydrophobicContact CB-CB 3.75Å | ||
| 66 | G | 74.1 | Confident | 83.5 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | trans | -88.9 | 3.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G15 S17 T64 | G15-G66 VanDerWaalsContact O-CA 3.29Å; G15-G66 WeakPolarHBondContact O-CA 3.44Å; S17-G66 PolarHBondContact N-O 3.06Å; T64-G66 PolarHBondContact O-N 3.37Å | ||
| 67 | Q | 78.1 | Confident | 83.2 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -96.2 | 125.4 | -178.8 | -75.8 | -73.4 | -17.9 | 0 | 0 | 109.3 | S17 A65 R69 F70 Q71 | S17-Q67 VanDerWaalsContact CB-NE2 3.26Å; S17-Q67 PolarHBondContact OG-NE2 2.86Å; A65-Q67 VanDerWaalsContact C-N 3.31Å; Q67-R69 VanDerWaalsContact C-N 3.29Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-F70 HydrophobicContact CB-CD2 3.91Å; Q67-F70 CarbonylContact O-C 3.56Å; Q67-F70 WeakPolarHBondContact O-CA 3.33Å; Q67-F70 PolarHBondContact O-N 3.16Å; Q67-Q71 PolarHBondContact O-N 3.47Å |
| 68 | E | 68 | Low | 83.1 | Confident | 158 Ų | 158 | 47.9 Ų | 47.9 | 74% | 0.738 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -50.2 | -46.3 | -176.7 | -168.8 | -178.2 | -177 | 0 | 0 | 112.9 | F70 Q71 | E68-F70 PolarHBondContact O-N 3.02Å; E68-Q71 WeakPolarHBondContact O-CB 3.18Å; E68-Q71 PolarHBondContact O-N 3.47Å |
| 69 | R | 73.8 | Confident | 83 | Confident | 191 Ų | 191 | 55.3 Ų | 55.3 | 72% | 0.721 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.5 | -15.5 | 178 | 73.1 | 179.9 | -173.8 | -172.6 | -0.5 | 115.2 | Q67 | Q67-R69 VanDerWaalsContact C-N 3.29Å; Q67-R69 PolarHBondContact O-N 3.34Å |
| 70 | F | 74.5 | Confident | 82.8 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 18% | 0.184 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -117.3 | -3.1 | 178 | -57.8 | -48.9 | 0 | 0 | 0 | 112.9 | I41 A65 Q67 E68 S72 L73 | I41-F70 HydrophobicContact CG1-CE2 4.27Å; I41-F70 HydrophobicContact CG2-CD1 4.29Å; I41-F70 HydrophobicContact CG2-CE1 4.36Å; I41-F70 HydrophobicContact CG2-CG 4.49Å; A65-F70 HydrophobicContact CB-CB 3.75Å; Q67-F70 HydrophobicContact CB-CD2 3.91Å; Q67-F70 CarbonylContact O-C 3.56Å; Q67-F70 WeakPolarHBondContact O-CA 3.33Å; Q67-F70 PolarHBondContact O-N 3.16Å; E68-F70 PolarHBondContact O-N 3.02Å; F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.79Å; F70-L73 HydrophobicContact CD1-CD1 4.49Å; F70-L73 WeakPolarHBondContact O-CB 3.36Å; F70-L73 PolarHBondContact O-N 2.72Å |
| 71 | Q | 67.2 | Low | 82.7 | Confident | 35 Ų | 35 | 55 Ų | 55 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | -178.6 | -88.1 | 172.6 | -17.1 | 0 | 0 | 111.6 | Q67 E68 L73 G74 V75 W102 | Q67-Q71 PolarHBondContact O-N 3.47Å; E68-Q71 WeakPolarHBondContact O-CB 3.18Å; E68-Q71 PolarHBondContact O-N 3.47Å; Q71-L73 PolarHBondContact O-N 2.88Å; Q71-G74 WeakPolarHBondContact O-CA 3.44Å; Q71-G74 PolarHBondContact O-N 3.31Å; Q71-V75 WeakPolarHBondContact O-CG2 3.22Å; Q71-V75 PolarHBondContact O-N 3.36Å; Q71-V75 VanDerWaalsContact O-N 3.14Å; Q71-W102 HydrophobicContact CG-CH2 3.56Å; Q71-W102 HydrophobicContact CG-CZ2 4.38Å; Q71-W102 HydrophobicContact CG-CZ3 4Å |
| 72 | S | 74.4 | Confident | 82.7 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56.6 | -27.3 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 114 | F70 | F70-S72 VanDerWaalsContact C-N 3.28Å; F70-S72 PolarHBondContact O-N 2.79Å |
| 73 | L | 72.8 | Confident | 82.8 | Confident | 92 Ų | 92 | 55 Ų | 55 | 48% | 0.482 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74.8 | -32.1 | 175.3 | -68.8 | 170.7 | 0 | 0 | 0 | 112.3 | F70 Q71 F77 | F70-L73 HydrophobicContact CD1-CD1 4.49Å; F70-L73 WeakPolarHBondContact O-CB 3.36Å; F70-L73 PolarHBondContact O-N 2.72Å; Q71-L73 PolarHBondContact O-N 2.88Å; L73-F77 WeakPolarHBondContact O-CD2 3.47Å; L73-F77 VanDerWaalsContact O-CE2 3.3Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å |
| 74 | G | 72.6 | Confident | 83 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.9 | -35.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q71 A76 F77 | Q71-G74 WeakPolarHBondContact O-CA 3.44Å; Q71-G74 PolarHBondContact O-N 3.31Å; G74-A76 PolarHBondContact O-N 3.01Å; G74-F77 PolarHBondContact O-N 3.47Å |
| 75 | V | 79.7 | Confident | 83.4 | Confident | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.1 | -35.3 | -177.5 | 168.1 | 0 | 0 | 0 | 0 | 113 | Q71 F77 Y78 Q109 | Q71-V75 WeakPolarHBondContact O-CG2 3.22Å; Q71-V75 PolarHBondContact O-N 3.36Å; Q71-V75 VanDerWaalsContact O-N 3.14Å; V75-F77 PolarHBondContact O-N 2.9Å; V75-Y78 HydrophobicContact CG2-CE2 4.04Å; V75-Y78 PolarHBondContact O-N 3.5Å; V75-Y78 VanDerWaalsContact O-N 3.09Å; V75-Q109 HydrophobicContact CG1-CB 3.62Å; V75-Q109 VanDerWaalsContact CG1-CD 3.47Å; V75-Q109 HydrophobicContact CG1-CG 3.42Å; V75-Q109 VanDerWaalsContact CG1-CG 3.42Å; V75-Q109 HydrophobicContact CG2-CG 4.49Å |
| 76 | A | 83.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 55 Ų | 55 | 65% | 0.653 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G74 | G74-A76 PolarHBondContact O-N 3.01Š|
| 77 | F | 86.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -2.8 | -177.7 | -56.4 | -71.8 | 0 | 0 | 0 | 113.9 | K10 A43 W62 L73 G74 V75 R79 | K10-F77 WeakPolarHBondContact CE-O 3.37Å; K10-F77 PolarHBondContact NZ-O 2.99Å; A43-F77 HydrophobicContact CB-CD2 3.61Å; A43-F77 HydrophobicContact CB-CE2 3.87Å; A43-F77 HydrophobicContact CB-CG 4.48Å; W62-F77 HydrophobicContact CD2-CB 4.06Å; W62-F77 HydrophobicContact CD2-CG 4.39Å; W62-F77 HydrophobicContact CE3-CB 3.69Å; W62-F77 AromaticContact CE3-CD1 3.81Å; W62-F77 HydrophobicContact CE3-CD1 3.81Å; W62-F77 HydrophobicContact CE3-CD2 4.1Å; W62-F77 HydrophobicContact CE3-CE1 4.46Å; W62-F77 AromaticContact CE3-CG 3.59Å; W62-F77 HydrophobicContact CE3-CG 3.59Å; W62-F77 HydrophobicContact CH2-CB 4.44Å; W62-F77 AromaticContact CH2-CD1 3.24Å; W62-F77 HydrophobicContact CH2-CD1 3.24Å; W62-F77 AromaticContact CH2-CE1 3.55Å; W62-F77 HydrophobicContact CH2-CE1 3.55Å; W62-F77 AromaticContact CH2-CG 3.94Å; W62-F77 HydrophobicContact CH2-CG 3.94Å; W62-F77 HydrophobicContact CH2-CZ 4.46Å; W62-F77 HydrophobicContact CZ2-CD1 4.09Å; W62-F77 HydrophobicContact CZ3-CB 3.91Å; W62-F77 AromaticContact CZ3-CD1 3.08Å; W62-F77 HydrophobicContact CZ3-CD1 3.08Å; W62-F77 AromaticContact CZ3-CD2 3.88Å; W62-F77 HydrophobicContact CZ3-CD2 3.88Å; W62-F77 AromaticContact CZ3-CE1 3.41Å; W62-F77 HydrophobicContact CZ3-CE1 3.41Å; W62-F77 VanDerWaalsContact CZ3-CE1 3.41Å; W62-F77 HydrophobicContact CZ3-CE2 4.15Å; W62-F77 AromaticContact CZ3-CG 3.33Å; W62-F77 HydrophobicContact CZ3-CG 3.33Å; W62-F77 AromaticContact CZ3-CZ 3.93Å; W62-F77 HydrophobicContact CZ3-CZ 3.93Å; L73-F77 WeakPolarHBondContact O-CD2 3.47Å; L73-F77 VanDerWaalsContact O-CE2 3.3Å; L73-F77 WeakPolarHBondContact O-CE2 3.33Å; G74-F77 PolarHBondContact O-N 3.47Å; V75-F77 PolarHBondContact O-N 2.9Å; F77-R79 PolarHBondContact O-N 3.22Å |
| 78 | Y | 92.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | trans | -71.5 | -28.9 | -175.2 | -68.4 | 0.6 | 0 | 0 | 0 | 113.6 | I12 I14 T64 V75 G80 A81 F106 Q109 S110 | I12-Y78 HydrophobicContact CG2-CD1 3.7Å; I12-Y78 HydrophobicContact CG2-CE1 3.69Å; I14-Y78 HydrophobicContact CG2-CE1 3.99Å; I14-Y78 WeakPolarHBondContact CG2-OH 3.29Å; T64-Y78 HydrophobicContact CG2-CE1 3.98Å; V75-Y78 HydrophobicContact CG2-CE2 4.04Å; V75-Y78 PolarHBondContact O-N 3.5Å; V75-Y78 VanDerWaalsContact O-N 3.09Å; Y78-G80 PolarHBondContact O-N 3.09Å; Y78-A81 WeakPolarHBondContact O-CB 2.99Å; Y78-A81 PolarHBondContact O-N 2.96Å; Y78-F106 HydrophobicContact CD1-CD2 4.37Å; Y78-F106 HydrophobicContact CD2-CB 4.34Å; Y78-F106 AromaticContact CD2-CD2 3.7Å; Y78-F106 HydrophobicContact CD2-CD2 3.7Å; Y78-F106 HydrophobicContact CD2-CE2 4.42Å; Y78-F106 HydrophobicContact CD2-CG 4.34Å; Y78-F106 HydrophobicContact CE2-CB 4.32Å; Y78-F106 HydrophobicContact CE2-CD2 4.11Å; Y78-F106 AromaticContact CG-CD2 3.86Å; Y78-F106 HydrophobicContact CG-CD2 3.86Å; Y78-F106 HydrophobicContact CG-CE2 4.14Å; Y78-Q109 HydrophobicContact CD2-CB 3.92Å; Y78-S110 WeakPolarHBondContact O-CB 3.21Å | ||
| 79 | R | 92.8 | Very high | 87.7 | Confident | 183 Ų | 183 | 43.3 Ų | 43.3 | 69% | 0.691 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 134.8 | -177.9 | -168.9 | 178.9 | -178.4 | 93.9 | -0.7 | 111.6 | K10 F77 A81 | K10-R79 PolarHBondContact NZ-O 3.48Å; F77-R79 PolarHBondContact O-N 3.22Å; R79-A81 VanDerWaalsContact C-N 3.28Å |
| 80 | G | 92.2 | Very high | 88.9 | Confident | 53 Ų | 53 | 34.2 Ų | 34.2 | 55% | 0.546 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 20.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K10 Y78 | K10-G80 WeakPolarHBondContact CD-O 3.37Å; Y78-G80 PolarHBondContact O-N 3.09Å |
| 81 | A | 95.3 | Very high | 90 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -64 | 143.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K10 I12 Y78 R79 F106 F118 | K10-A81 CarbonylContact O-C 3.56Å; K10-A81 WeakPolarHBondContact O-CA 3.31Å; I12-A81 HydrophobicContact CD1-CB 4.42Å; I12-A81 HydrophobicContact CG1-CB 3.57Å; Y78-A81 WeakPolarHBondContact O-CB 2.99Å; Y78-A81 PolarHBondContact O-N 2.96Å; R79-A81 VanDerWaalsContact C-N 3.28Å; A81-F106 HydrophobicContact CB-CE2 4.15Å; A81-F106 HydrophobicContact CB-CZ 3.75Å; A81-F118 HydrophobicContact CB-CZ 3.95Å; A81-F118 VanDerWaalsContact O-CE2 3.27Å; A81-F118 WeakPolarHBondContact O-CE2 3.39Å | ||
| 82 | D | 95.9 | Very high | 91.5 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -101.2 | -14 | 173.7 | -55.6 | -61.3 | 0 | 0 | 0 | 111.6 | L9 K10 P119 A173 | L9-D82 VanDerWaalsContact CA-OD2 3.32Å; L9-D82 WeakPolarHBondContact CA-OD2 3.33Å; L9-D82 HydrophobicContact CD2-CB 4.39Å; K10-D82 PolarHBondContact N-OD2 3.11Å; K10-D82 PolarHBondContact O-N 3.4Å; D82-P119 WeakPolarHBondContact O-CG 3.27Å; D82-A173 HydrophobicContact CB-CB 4.12Å |
| 83 | C | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 148.8 | 171.5 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | K10 I11 I12 P119 I169 A173 | K10-C83 PolarHBondContact O-N 3.01Å; I11-C83 WeakPolarHBondContact CA-O 3.47Å; I11-C83 HydrophobicContact CD1-CB 3.86Å; I12-C83 PolarHBondContact N-O 2.79Å; C83-P119 WeakPolarHBondContact CA-O 3.43Å; C83-P119 HydrophobicContact CB-CB 4.47Å; C83-P119 HydrophobicContact CB-CG 4.21Å; C83-P119 PolarHBondContact SG-O 2.67Å; C83-I169 HydrophobicContact CB-CG2 4.48Å; C83-A173 HydrophobicContact CB-CB 3.89Å |
| 84 | C | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 172.6 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | I12 I14 F106 F118 P119 F120 I121 | I12-C84 CarbonylContact O-C 3.57Å; I12-C84 WeakPolarHBondContact O-CA 3.38Å; I14-C84 VanDerWaalsContact CD1-SG 3.51Å; C84-F106 HydrophobicContact CB-CD1 4.16Å; C84-F106 HydrophobicContact CB-CD2 4.09Å; C84-F106 HydrophobicContact CB-CE1 3.86Å; C84-F106 HydrophobicContact CB-CE2 3.77Å; C84-F106 HydrophobicContact CB-CG 4.27Å; C84-F106 HydrophobicContact CB-CZ 3.64Å; C84-F118 HydrophobicContact CB-CE1 3.74Å; C84-P119 PolarHBondContact N-O 2.63Å; C84-F120 HydrophobicContact CB-CD1 3.58Å; C84-F120 HydrophobicContact CB-CE1 3.56Å; C84-F120 CarbonylContact O-C 3.57Å; C84-F120 VanDerWaalsContact O-CA 3.28Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; C84-I121 PolarHBondContact O-N 2.89Å |
| 85 | V | 98.7 | Very high | 95 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115 | 177.8 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | I11 I12 V13 I14 V87 I121 I123 I169 | I11-V85 HydrophobicContact CG2-CG2 3.77Å; I12-V85 PolarHBondContact O-N 3.33Å; V13-V85 HydrophobicContact CG1-CB 4.29Å; V13-V85 HydrophobicContact CG2-CB 4.22Å; V13-V85 HydrophobicContact CG2-CG2 4.36Å; I14-V85 PolarHBondContact N-O 3.11Å; V85-V87 HydrophobicContact CG1-CG2 3.95Å; V85-I121 CarbonylContact C-O 3.49Å; V85-I121 WeakPolarHBondContact CA-O 3.39Å; V85-I123 HydrophobicContact CG1-CD1 3.62Å; V85-I123 HydrophobicContact CG1-CG1 3.93Å; V85-I169 HydrophobicContact CG1-CD1 4.3Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.91Å; V85-I169 HydrophobicContact CG2-CG2 4.46Å |
| 86 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 113.5 | 175.9 | -71.1 | 168.8 | 0 | 0 | 0 | 109 | I14 L99 W102 R103 F120 I121 V122 I123 W142 | I14-L86 HydrophobicContact CD1-CD2 3.7Å; I14-L86 HydrophobicContact CG1-CD2 3.7Å; L86-L99 HydrophobicContact CB-CD2 4.1Å; L86-W102 HydrophobicContact CD2-CB 3.94Å; L86-R103 HydrophobicContact CD1-CB 4.15Å; L86-R103 HydrophobicContact CD1-CG 4.45Å; L86-R103 HydrophobicContact CD2-CB 4.34Å; L86-F120 HydrophobicContact CD1-CB 4.48Å; L86-F120 HydrophobicContact CD1-CD1 3.9Å; L86-F120 HydrophobicContact CD1-CG 4.46Å; L86-F120 HydrophobicContact CG-CD1 4.1Å; L86-I121 PolarHBondContact N-O 3.37Å; L86-V122 HydrophobicContact CB-CG2 4.27Å; L86-V122 HydrophobicContact CD1-CG2 4.23Å; L86-V122 CarbonylContact O-C 3.37Å; L86-V122 WeakPolarHBondContact O-CA 3.44Å; L86-I123 PolarHBondContact O-N 3.26Å; L86-W142 HydrophobicContact CD1-CH2 4.1Å; L86-W142 HydrophobicContact CD1-CZ3 4.48Å |
| 87 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | -177.1 | -170 | 0 | 0 | 0 | 0 | 110.7 | V13 I14 G15 V19 K21 L24 V85 I123 N125 | V13-V87 HydrophobicContact CG1-CG2 3.61Å; I14-V87 PolarHBondContact O-N 2.99Å; G15-V87 WeakPolarHBondContact CA-O 3.49Å; V19-V87 HydrophobicContact CB-CG1 4.28Å; V19-V87 HydrophobicContact CG2-CB 3.98Å; V19-V87 HydrophobicContact CG2-CG1 3.76Å; K21-V87 HydrophobicContact CG-CB 4.07Å; K21-V87 HydrophobicContact CG-CG1 4.49Å; K21-V87 HydrophobicContact CG-CG2 4.2Å; L24-V87 HydrophobicContact CD1-CG1 3.73Å; L24-V87 HydrophobicContact CD1-CG2 4.21Å; V85-V87 HydrophobicContact CG1-CG2 3.95Å; V87-I123 WeakPolarHBondContact CA-O 3.49Å; V87-I123 HydrophobicContact CG2-CB 4.45Å; V87-N125 HydrophobicContact CG1-CB 4.09Å |
| 88 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 167.1 | 169.2 | 77 | -81.1 | 0 | 0 | 0 | 111.1 | V90 T95 F96 L99 V122 I123 N125 V134 A139 Y151 | Y88-V90 HydrophobicContact CE2-CB 4.5Å; Y88-V90 HydrophobicContact CE2-CG1 4.05Å; Y88-T95 WeakPolarHBondContact CB-O 3.31Å; Y88-F96 AromaticContact CD1-CD2 3.92Å; Y88-F96 HydrophobicContact CD1-CD2 3.92Å; Y88-F96 HydrophobicContact CD2-CB 3.71Å; Y88-F96 AromaticContact CD2-CD2 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 3.82Å; Y88-F96 HydrophobicContact CD2-CG 4.23Å; Y88-F96 AromaticContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CE2 4.16Å; Y88-F96 HydrophobicContact CE2-CB 4.13Å; Y88-F96 AromaticContact CE2-CD2 3.68Å; Y88-F96 HydrophobicContact CE2-CD2 3.68Å; Y88-F96 HydrophobicContact CE2-CG 4.27Å; Y88-F96 HydrophobicContact CG-CB 4.18Å; Y88-F96 AromaticContact CG-CD2 3.94Å; Y88-F96 HydrophobicContact CG-CD2 3.94Å; Y88-F96 AromaticContact CZ-CD2 3.66Å; Y88-L99 HydrophobicContact CD1-CD1 3.79Å; Y88-L99 HydrophobicContact CE1-CD1 4.42Å; Y88-L99 HydrophobicContact CG-CD1 4.28Å; Y88-V122 HydrophobicContact CD1-CG1 4.2Å; Y88-V122 HydrophobicContact CE1-CG1 4.03Å; Y88-I123 WeakPolarHBondContact CD1-O 3.48Å; Y88-I123 PolarHBondContact N-O 3Å; Y88-N125 PolarHBondContact O-N 3.34Å; Y88-V134 HydrophobicContact CE2-CB 4.02Å; Y88-V134 HydrophobicContact CE2-CG1 3.98Å; Y88-V134 HydrophobicContact CE2-CG2 4.26Å; Y88-A139 VanDerWaalsContact OH-CB 3.24Å; Y88-A139 WeakPolarHBondContact OH-CB 3.33Å; Y88-Y151 AromaticContact CE1-CE2 3.98Å; Y88-Y151 HydrophobicContact CE1-CE2 3.98Å; Y88-Y151 PolarHBondContact OH-OH 3.4Å |
| 89 | D | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.4 | 175.9 | -177.5 | -22.5 | 0 | 0 | 0 | 109.8 | V19 T91 M92 T95 K126 | V19-D89 HydrophobicContact CB-CB 4.37Å; V19-D89 HydrophobicContact CG1-CB 4.21Å; D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 2.84Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.48Å; D89-T91 WeakPolarHBondContact OD1-CB 3.37Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 3.28Å; D89-T91 PolarHBondContact OD2-OG1 3.44Å; D89-M92 HydrophobicContact CB-CB 4.19Å; D89-M92 HydrophobicContact CB-CE 3.68Å; D89-M92 HydrophobicContact CB-CG 4.38Å; D89-M92 PolarHBondContact O-N 2.93Å; D89-M92 WeakPolarHBondContact OD2-CE 3.44Å; D89-T95 PolarHBondContact N-OG1 2.8Å; D89-T95 PolarHBondContact O-OG1 3.29Å; D89-K126 VanDerWaalsContact OD2-CD 3.25Å; D89-K126 WeakPolarHBondContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CE 3.15Å; D89-K126 IonicContact OD2-NZ 3.27Å; D89-K126 PolarHBondContact OD2-NZ 2.98Å |
| 90 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.7 | -178.6 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | Y88 N125 K126 A133 V134 | Y88-V90 HydrophobicContact CE2-CB 4.5Å; Y88-V90 HydrophobicContact CE2-CG1 4.05Å; V90-N125 WeakPolarHBondContact CG1-O 3.29Å; V90-N125 WeakPolarHBondContact CG2-O 3.43Å; V90-N125 PolarHBondContact N-O 3.17Å; V90-K126 WeakPolarHBondContact CG2-O 3.45Å; V90-A133 PolarHBondContact O-N 2.9Å; V90-V134 PolarHBondContact O-N 2.9Å |
| 91 | T | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 13% | 0.129 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.7 | 177.1 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | D89 L129 N131 A133 | D89-T91 VanDerWaalsContact CG-OG1 3.23Å; D89-T91 PolarHBondContact O-N 2.84Å; D89-T91 VanDerWaalsContact O-N 3.09Å; D89-T91 WeakPolarHBondContact OD1-CA 3.48Å; D89-T91 WeakPolarHBondContact OD1-CB 3.37Å; D89-T91 PolarHBondContact OD1-N 2.96Å; D89-T91 PolarHBondContact OD1-OG1 3.28Å; D89-T91 PolarHBondContact OD2-OG1 3.44Å; T91-L129 HydrophobicContact CG2-CB 3.69Å; T91-L129 HydrophobicContact CG2-CD1 3.8Å; T91-L129 HydrophobicContact CG2-CG 4.35Å; T91-N131 WeakPolarHBondContact CA-O 3.35Å; T91-N131 WeakPolarHBondContact CB-O 3.43Å; T91-N131 WeakPolarHBondContact CG2-OD1 3.28Å; T91-A133 VanDerWaalsContact O-CB 3.23Å; T91-A133 WeakPolarHBondContact O-CB 3.37Å |
| 92 | M | 97.8 | Very high | 97.7 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 33% | 0.325 | 15% | 0.152 | S | C | . | . | trans | -128 | 99.2 | -175.9 | -62.3 | -164.9 | -74.4 | 0 | 0 | 112.6 | D89 S94 T95 | D89-M92 HydrophobicContact CB-CB 4.19Å; D89-M92 HydrophobicContact CB-CE 3.68Å; D89-M92 HydrophobicContact CB-CG 4.38Å; D89-M92 PolarHBondContact O-N 2.93Å; D89-M92 WeakPolarHBondContact OD2-CE 3.44Å; M92-S94 PolarHBondContact O-N 3.4Å; M92-S94 VanDerWaalsContact O-N 3.11Å; M92-T95 HydrophobicContact CB-CG2 3.87Å; M92-T95 HydrophobicContact CE-CG2 3.73Å; M92-T95 PolarHBondContact O-N 2.95Å; M92-T95 VanDerWaalsContact O-N 3.08Å; M92-T95 PolarHBondContact O-OG1 3.01Å; M92-T95 HydrophobicContact SD-CG2 4.41Å | ||
| 93 | T | 98.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 26% | 0.258 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -54.3 | -32.1 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 114 | F96 K97 A133 | T93-F96 PolarHBondContact O-N 3.33Å; T93-K97 HydrophobicContact CG2-CD 4.37Å; T93-K97 HydrophobicContact CG2-CG 4.44Å; T93-K97 WeakPolarHBondContact O-CG 3.03Å; T93-K97 PolarHBondContact O-N 3.43Å; T93-K97 VanDerWaalsContact O-N 3.14Å; T93-A133 WeakPolarHBondContact OG1-CB 3.24Å; T93-A133 PolarHBondContact OG1-O 2.97Å |
| 94 | S | 97.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 49% | 0.49 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 177.5 | 48.9 | 0 | 0 | 0 | 0 | 112 | M92 F96 K97 T98 | M92-S94 PolarHBondContact O-N 3.4Å; M92-S94 VanDerWaalsContact O-N 3.11Å; S94-F96 PolarHBondContact O-N 2.76Å; S94-K97 WeakPolarHBondContact O-CB 3.36Å; S94-K97 PolarHBondContact O-N 3.25Å; S94-T98 PolarHBondContact O-N 2.71Å; S94-T98 PolarHBondContact O-OG1 2.9Å |
| 95 | T | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.2 | -23.7 | -178.4 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | D16 V19 Y88 D89 M92 T98 | D16-T95 HydrophobicContact CB-CG2 3.78Å; D16-T95 WeakPolarHBondContact OD2-CA 3.38Å; V19-T95 HydrophobicContact CG1-CG2 3.77Å; Y88-T95 WeakPolarHBondContact CB-O 3.31Å; D89-T95 PolarHBondContact N-OG1 2.8Å; D89-T95 PolarHBondContact O-OG1 3.29Å; M92-T95 HydrophobicContact CB-CG2 3.87Å; M92-T95 HydrophobicContact CE-CG2 3.73Å; M92-T95 PolarHBondContact O-N 2.95Å; M92-T95 VanDerWaalsContact O-N 3.08Å; M92-T95 PolarHBondContact O-OG1 3.01Å; M92-T95 HydrophobicContact SD-CG2 4.41Å; T95-T98 PolarHBondContact O-OG1 3.27Å |
| 96 | F | 98.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.3 | -37.9 | 172.1 | -178.7 | -102.1 | 0 | 0 | 0 | 112 | Y88 T93 S94 T98 L99 V134 R138 A139 W142 | Y88-F96 AromaticContact CD1-CD2 3.92Å; Y88-F96 HydrophobicContact CD1-CD2 3.92Å; Y88-F96 HydrophobicContact CD2-CB 3.71Å; Y88-F96 AromaticContact CD2-CD2 3.82Å; Y88-F96 HydrophobicContact CD2-CD2 3.82Å; Y88-F96 HydrophobicContact CD2-CG 4.23Å; Y88-F96 AromaticContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CD2 3.76Å; Y88-F96 HydrophobicContact CE1-CE2 4.16Å; Y88-F96 HydrophobicContact CE2-CB 4.13Å; Y88-F96 AromaticContact CE2-CD2 3.68Å; Y88-F96 HydrophobicContact CE2-CD2 3.68Å; Y88-F96 HydrophobicContact CE2-CG 4.27Å; Y88-F96 HydrophobicContact CG-CB 4.18Å; Y88-F96 AromaticContact CG-CD2 3.94Å; Y88-F96 HydrophobicContact CG-CD2 3.94Å; Y88-F96 AromaticContact CZ-CD2 3.66Å; T93-F96 PolarHBondContact O-N 3.33Å; S94-F96 PolarHBondContact O-N 2.76Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.27Å; F96-L99 HydrophobicContact CD2-CD1 3.69Å; F96-L99 HydrophobicContact CE2-CD1 3.95Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.31Å; F96-L99 WeakPolarHBondContact O-CG 3.39Å; F96-L99 PolarHBondContact O-N 2.93Å; F96-V134 HydrophobicContact CB-CG1 4.45Å; F96-V134 HydrophobicContact CB-CG2 3.86Å; F96-V134 HydrophobicContact CD1-CG1 4.18Å; F96-V134 HydrophobicContact CD2-CG1 4.05Å; F96-V134 HydrophobicContact CE1-CG1 4.48Å; F96-V134 HydrophobicContact CE2-CG1 4.35Å; F96-V134 HydrophobicContact CG-CG1 3.95Å; F96-V134 HydrophobicContact CG-CG2 4.22Å; F96-R138 HydrophobicContact CE1-CG 4.12Å; F96-R138 HydrophobicContact CZ-CG 4.44Å; F96-A139 HydrophobicContact CE2-CB 3.86Å; F96-A139 HydrophobicContact CZ-CB 4.32Å; F96-W142 HydrophobicContact CE1-CB 4.44Å; F96-W142 HydrophobicContact CE2-CB 4.42Å; F96-W142 HydrophobicContact CZ-CB 3.62Å; F96-W142 AromaticContact CZ-CG 3.89Å; F96-W142 HydrophobicContact CZ-CG 3.89Å |
| 97 | K | 97.9 | Very high | 97 | Very high | 133 Ų | 133 | 35.8 Ų | 35.8 | 58% | 0.578 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -67 | -28.4 | 178.8 | -73.5 | 176.9 | 173.8 | -176.3 | 0 | 113 | T93 S94 L99 | T93-K97 HydrophobicContact CG2-CD 4.37Å; T93-K97 HydrophobicContact CG2-CG 4.44Å; T93-K97 WeakPolarHBondContact O-CG 3.03Å; T93-K97 PolarHBondContact O-N 3.43Å; T93-K97 VanDerWaalsContact O-N 3.14Å; S94-K97 WeakPolarHBondContact O-CB 3.36Å; S94-K97 PolarHBondContact O-N 3.25Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 3.09Å |
| 98 | T | 96.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 40.6 Ų | 40.6 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.8 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | D16 S94 T95 F96 D100 S101 W102 | D16-T98 VanDerWaalsContact CG-OG1 3.22Å; D16-T98 WeakPolarHBondContact OD1-CB 3.3Å; D16-T98 PolarHBondContact OD1-OG1 2.94Å; D16-T98 PolarHBondContact OD2-OG1 3.35Å; S94-T98 PolarHBondContact O-N 2.71Å; S94-T98 PolarHBondContact O-OG1 2.9Å; T95-T98 PolarHBondContact O-OG1 3.27Å; F96-T98 VanDerWaalsContact C-N 3.28Å; F96-T98 PolarHBondContact O-N 3.27Å; T98-D100 VanDerWaalsContact C-N 3.3Å; T98-D100 PolarHBondContact O-N 3.48Å; T98-S101 PolarHBondContact O-N 2.84Å; T98-S101 VanDerWaalsContact O-N 3.12Å; T98-W102 PolarHBondContact O-N 2.77Å |
| 99 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 179.6 | -71.2 | -175.5 | 0 | 0 | 0 | 113.1 | L86 Y88 F96 K97 S101 W102 R103 V122 W142 | L86-L99 HydrophobicContact CB-CD2 4.1Å; Y88-L99 HydrophobicContact CD1-CD1 3.79Å; Y88-L99 HydrophobicContact CE1-CD1 4.42Å; Y88-L99 HydrophobicContact CG-CD1 4.28Å; F96-L99 HydrophobicContact CD2-CD1 3.69Å; F96-L99 HydrophobicContact CE2-CD1 3.95Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.31Å; F96-L99 WeakPolarHBondContact O-CG 3.39Å; F96-L99 PolarHBondContact O-N 2.93Å; K97-L99 VanDerWaalsContact C-N 3.27Å; K97-L99 PolarHBondContact O-N 3.09Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.47Å; L99-W102 PolarHBondContact O-N 3.37Å; L99-R103 WeakPolarHBondContact O-CB 3.48Å; L99-R103 PolarHBondContact O-N 3.48Å; L99-V122 HydrophobicContact CD1-CG1 4.11Å; L99-W142 HydrophobicContact CB-CH2 4.13Å; L99-W142 HydrophobicContact CB-CZ2 3.89Å |
| 100 | D | 96.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58 | -47.8 | 175.1 | -63.3 | -65.3 | 0 | 0 | 0 | 110.2 | T98 W102 R103 D104 W142 | T98-D100 VanDerWaalsContact C-N 3.3Å; T98-D100 PolarHBondContact O-N 3.48Å; D100-W102 PolarHBondContact O-N 2.98Å; D100-R103 PolarHBondContact O-N 3.1Å; D100-D104 WeakPolarHBondContact O-CB 3.31Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.46Å; D100-W142 VanDerWaalsContact OD1-CZ2 3.29Å; D100-W142 WeakPolarHBondContact OD1-CZ2 3.31Å; D100-W142 PolarHBondContact OD1-NE1 2.77Å; D100-W142 PolarHBondContact OD2-NE1 3.01Å |
| 101 | S | 94.8 | Very high | 96 | Very high | 79 Ų | 79 | 48.8 Ų | 48.8 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 179.4 | -50.3 | 0 | 0 | 0 | 0 | 112.9 | T98 L99 E105 | T98-S101 PolarHBondContact O-N 2.84Å; T98-S101 VanDerWaalsContact O-N 3.12Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.47Å; S101-E105 VanDerWaalsContact O-CB 3.31Å; S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 2.82Å |
| 102 | W | 95.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 175 | -80.4 | 112.6 | 0 | 0 | 0 | 112.2 | I14 G15 D16 Q71 L86 T98 L99 D100 F106 | I14-W102 HydrophobicContact CB-CD2 4.44Å; I14-W102 HydrophobicContact CB-CE3 3.88Å; I14-W102 HydrophobicContact CB-CZ3 4.18Å; I14-W102 HydrophobicContact CD1-CB 3.93Å; I14-W102 HydrophobicContact CD1-CE3 4.18Å; I14-W102 WeakPolarHBondContact CD1-O 3.45Å; I14-W102 HydrophobicContact CG1-CB 4.25Å; I14-W102 HydrophobicContact CG1-CE3 4.27Å; G15-W102 WeakPolarHBondContact O-CZ2 3.44Å; D16-W102 PolarHBondContact OD1-NE1 3.27Å; Q71-W102 HydrophobicContact CG-CH2 3.56Å; Q71-W102 HydrophobicContact CG-CZ2 4.38Å; Q71-W102 HydrophobicContact CG-CZ3 4Å; L86-W102 HydrophobicContact CD2-CB 3.94Å; T98-W102 PolarHBondContact O-N 2.77Å; L99-W102 PolarHBondContact O-N 3.37Å; D100-W102 PolarHBondContact O-N 2.98Å; W102-F106 VanDerWaalsContact O-CB 3.31Å; W102-F106 WeakPolarHBondContact O-CB 3.47Å; W102-F106 PolarHBondContact O-N 2.98Å |
| 103 | R | 96.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 177.7 | -177.5 | -177.9 | 176.3 | -138.6 | -2.1 | 111.3 | L86 L99 D100 F106 L107 F120 N146 | L86-R103 HydrophobicContact CD1-CB 4.15Å; L86-R103 HydrophobicContact CD1-CG 4.45Å; L86-R103 HydrophobicContact CD2-CB 4.34Å; L99-R103 WeakPolarHBondContact O-CB 3.48Å; L99-R103 PolarHBondContact O-N 3.48Å; D100-R103 PolarHBondContact O-N 3.1Å; R103-F106 PolarHBondContact O-N 3.21Å; R103-L107 HydrophobicContact CG-CD1 4.33Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.47Å; R103-F120 HydrophobicContact CG-CD1 4.46Å; R103-F120 HydrophobicContact CG-CE1 4Å; R103-F120 HydrophobicContact CG-CE2 4.25Å; R103-F120 HydrophobicContact CG-CZ 3.88Å; R103-N146 PolarHBondContact NH1-OD1 3.25Å; R103-N146 PolarHBondContact NH2-O 3.49Å |
| 104 | D | 94.8 | Very high | 95 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | -179.1 | -70.7 | -13.3 | 0 | 0 | 0 | 111.2 | D100 F106 L107 V108 | D100-D104 WeakPolarHBondContact O-CB 3.31Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.46Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.15Å; D104-L107 PolarHBondContact O-N 2.95Å; D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.23Å |
| 105 | E | 93.1 | Very high | 94.8 | Very high | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.4 | -179.1 | 179.6 | -110.3 | 0 | 0 | 110.8 | S101 L107 V108 Q109 | S101-E105 VanDerWaalsContact O-CB 3.31Å; S101-E105 WeakPolarHBondContact O-CB 3.45Å; S101-E105 PolarHBondContact O-N 2.82Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.24Å; E105-V108 PolarHBondContact O-N 2.92Å; E105-Q109 HydrophobicContact CG-CG 4.09Å; E105-Q109 WeakPolarHBondContact O-CB 3.37Å; E105-Q109 WeakPolarHBondContact O-CG 3.29Å; E105-Q109 PolarHBondContact O-N 2.98Å |
| 106 | F | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 178.3 | 177 | -84.3 | 0 | 0 | 0 | 111.7 | I12 I14 Y78 A81 C84 W102 R103 D104 V108 Q109 S110 F118 F120 | I12-F106 HydrophobicContact CB-CE2 3.98Å; I12-F106 HydrophobicContact CG1-CE2 3.97Å; I12-F106 HydrophobicContact CG2-CD2 4.47Å; I12-F106 HydrophobicContact CG2-CE2 4.23Å; I14-F106 HydrophobicContact CD1-CB 3.84Å; I14-F106 HydrophobicContact CD1-CD2 4.38Å; I14-F106 HydrophobicContact CD1-CG 4.39Å; Y78-F106 HydrophobicContact CD1-CD2 4.37Å; Y78-F106 HydrophobicContact CD2-CB 4.34Å; Y78-F106 AromaticContact CD2-CD2 3.7Å; Y78-F106 HydrophobicContact CD2-CD2 3.7Å; Y78-F106 HydrophobicContact CD2-CE2 4.42Å; Y78-F106 HydrophobicContact CD2-CG 4.34Å; Y78-F106 HydrophobicContact CE2-CB 4.32Å; Y78-F106 HydrophobicContact CE2-CD2 4.11Å; Y78-F106 AromaticContact CG-CD2 3.86Å; Y78-F106 HydrophobicContact CG-CD2 3.86Å; Y78-F106 HydrophobicContact CG-CE2 4.14Å; A81-F106 HydrophobicContact CB-CE2 4.15Å; A81-F106 HydrophobicContact CB-CZ 3.75Å; C84-F106 HydrophobicContact CB-CD1 4.16Å; C84-F106 HydrophobicContact CB-CD2 4.09Å; C84-F106 HydrophobicContact CB-CE1 3.86Å; C84-F106 HydrophobicContact CB-CE2 3.77Å; C84-F106 HydrophobicContact CB-CG 4.27Å; C84-F106 HydrophobicContact CB-CZ 3.64Å; W102-F106 VanDerWaalsContact O-CB 3.31Å; W102-F106 WeakPolarHBondContact O-CB 3.47Å; W102-F106 PolarHBondContact O-N 2.98Å; R103-F106 PolarHBondContact O-N 3.21Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.15Å; F106-V108 PolarHBondContact O-N 3.21Å; F106-Q109 PolarHBondContact O-N 2.92Å; F106-S110 WeakPolarHBondContact CD1-OG 3.48Å; F106-S110 WeakPolarHBondContact CE1-OG 3.18Å; F106-S110 VanDerWaalsContact O-CB 3.22Å; F106-S110 WeakPolarHBondContact O-CB 3.47Å; F106-S110 PolarHBondContact O-N 3.15Å; F106-S110 PolarHBondContact O-OG 3.22Å; F106-F118 HydrophobicContact CD1-CE1 4.3Å; F106-F118 AromaticContact CE1-CD1 3.69Å; F106-F118 HydrophobicContact CE1-CD1 3.69Å; F106-F118 AromaticContact CE1-CE1 3.22Å; F106-F118 HydrophobicContact CE1-CE1 3.22Å; F106-F118 HydrophobicContact CE1-CE2 4.31Å; F106-F118 HydrophobicContact CE1-CG 4.41Å; F106-F118 AromaticContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CZ-CD1 4.4Å; F106-F118 AromaticContact CZ-CE1 3.5Å; F106-F118 HydrophobicContact CZ-CE1 3.5Å; F106-F118 HydrophobicContact CZ-CE2 4.39Å; F106-F118 AromaticContact CZ-CZ 3.49Å; F106-F118 HydrophobicContact CZ-CZ 3.49Å; F106-F118 VanDerWaalsContact CZ-CZ 3.49Å; F106-F120 HydrophobicContact CB-CE1 4.46Å; F106-F120 AromaticContact CD1-CE1 3.61Å; F106-F120 HydrophobicContact CD1-CE1 3.61Å; F106-F120 AromaticContact CD1-CZ 3.48Å; F106-F120 HydrophobicContact CD1-CZ 3.48Å; F106-F120 VanDerWaalsContact CD1-CZ 3.48Å; F106-F120 HydrophobicContact CE1-CE1 4.13Å; F106-F120 AromaticContact CE1-CZ 3.95Å; F106-F120 HydrophobicContact CE1-CZ 3.95Å; F106-F120 HydrophobicContact CG-CE1 4.14Å; F106-F120 HydrophobicContact CG-CZ 4.37Å |
| 107 | L | 95.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | -178.5 | -75.3 | 177.3 | 0 | 0 | 0 | 112.2 | R103 D104 E105 S111 P112 P115 F118 F120 | R103-L107 HydrophobicContact CG-CD1 4.33Å; R103-L107 WeakPolarHBondContact O-CG 3.41Å; R103-L107 PolarHBondContact O-N 3.47Å; D104-L107 PolarHBondContact O-N 2.95Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.24Å; L107-S111 PolarHBondContact O-N 3.37Å; L107-P112 HydrophobicContact CD2-CG 4.01Å; L107-P112 WeakPolarHBondContact O-CD 3.48Å; L107-P115 HydrophobicContact CD2-CB 4.06Å; L107-F118 HydrophobicContact CD2-CB 4.4Å; L107-F120 HydrophobicContact CD1-CE2 4.44Å; L107-F120 HydrophobicContact CD1-CZ 4.47Å; L107-F120 HydrophobicContact CD2-CE2 3.7Å; L107-F120 HydrophobicContact CD2-CZ 3.67Å; L107-F120 HydrophobicContact CG-CE2 4.13Å; L107-F120 HydrophobicContact CG-CZ 3.82Å |
| 108 | V | 93.8 | Very high | 94 | Very high | 100 Ų | 100 | 67.6 Ų | 67.6 | 61% | 0.606 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -49.3 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | D104 E105 F106 S111 | D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.23Å; E105-V108 PolarHBondContact O-N 2.92Å; F106-V108 PolarHBondContact O-N 3.21Å; V108-S111 PolarHBondContact O-OG 3.24Å |
| 109 | Q | 93.3 | Very high | 94 | Very high | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -83 | -33.5 | -169.3 | -61.3 | -65.3 | -20.3 | 0 | 0 | 114 | V75 Y78 E105 F106 S111 | V75-Q109 HydrophobicContact CG1-CB 3.62Å; V75-Q109 VanDerWaalsContact CG1-CD 3.47Å; V75-Q109 HydrophobicContact CG1-CG 3.42Å; V75-Q109 VanDerWaalsContact CG1-CG 3.42Å; V75-Q109 HydrophobicContact CG2-CG 4.49Å; Y78-Q109 HydrophobicContact CD2-CB 3.92Å; E105-Q109 HydrophobicContact CG-CG 4.09Å; E105-Q109 WeakPolarHBondContact O-CB 3.37Å; E105-Q109 WeakPolarHBondContact O-CG 3.29Å; E105-Q109 PolarHBondContact O-N 2.98Å; F106-Q109 PolarHBondContact O-N 2.92Å; Q109-S111 VanDerWaalsContact C-N 3.33Å |
| 110 | S | 93.8 | Very high | 94 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 174.1 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | Y78 F106 P112 | Y78-S110 WeakPolarHBondContact O-CB 3.21Å; F106-S110 WeakPolarHBondContact CD1-OG 3.48Å; F106-S110 WeakPolarHBondContact CE1-OG 3.18Å; F106-S110 VanDerWaalsContact O-CB 3.22Å; F106-S110 WeakPolarHBondContact O-CB 3.47Å; F106-S110 PolarHBondContact O-N 3.15Å; F106-S110 PolarHBondContact O-OG 3.22Å; S110-P112 WeakPolarHBondContact OG-CD 3.29Å |
| 111 | S | 92.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | trans | 45.4 | 57.6 | -176.5 | -65.2 | 0 | 0 | 0 | 0 | 111.9 | L107 V108 Q109 | L107-S111 PolarHBondContact O-N 3.37Å; V108-S111 PolarHBondContact O-OG 3.24Å; Q109-S111 VanDerWaalsContact C-N 3.33Å | ||
| 112 | P | 92.4 | Very high | 94.3 | Very high | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.143 | 29% | 0.291 | C | S | . | . | trans | -68.5 | 153.3 | -176.9 | 32.5 | -32.4 | 0 | 0 | 0 | 109.5 | L107 S110 N114 P115 F118 | L107-P112 HydrophobicContact CD2-CG 4.01Å; L107-P112 WeakPolarHBondContact O-CD 3.48Å; S110-P112 WeakPolarHBondContact OG-CD 3.29Å; P112-N114 PolarHBondContact O-N 3.19Å; P112-P115 HydrophobicContact CG-CB 4.11Å; P112-P115 HydrophobicContact CG-CG 4.02Å; P112-P115 WeakPolarHBondContact O-CD 3.48Å; P112-P115 WeakPolarHBondContact O-CG 3.46Å; P112-F118 HydrophobicContact CB-CB 4.37Å; P112-F118 HydrophobicContact CB-CD2 3.47Å; P112-F118 VanDerWaalsContact CB-CD2 3.47Å; P112-F118 HydrophobicContact CB-CE2 4.12Å; P112-F118 HydrophobicContact CB-CG 4.15Å; P112-F118 HydrophobicContact CG-CB 4.19Å; P112-F118 HydrophobicContact CG-CD2 4.03Å; P112-F118 HydrophobicContact CG-CG 4.22Å | ||
| 113 | R | 89.7 | Confident | 94.5 | Very high | 207 Ų | 207 | 59.7 Ų | 59.7 | 78% | 0.781 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -60.3 | -34.5 | -178.3 | -70 | -178.3 | -179.7 | 162.5 | 1.6 | 112.6 | ||
| 114 | N | 91 | Very high | 94.6 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | trans | -129.7 | 81.8 | 177.5 | -166.3 | -18.8 | 0 | 0 | 0 | 110.8 | P112 E116 R117 F118 | P112-N114 PolarHBondContact O-N 3.19Å; N114-E116 PolarHBondContact O-N 3.06Å; N114-R117 HydrophobicContact CB-CB 4.41Å; N114-R117 WeakPolarHBondContact ND2-CD 3.4Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 VanDerWaalsContact O-N 3.14Å; N114-R117 PolarHBondContact OD1-N 3.43Å; N114-F118 PolarHBondContact O-N 3.13Å | ||
| 115 | P | 92.5 | Very high | 94.8 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.4 | -177.1 | -24.7 | 34.5 | 0 | 0 | 0 | 114.3 | L107 P112 R117 | L107-P115 HydrophobicContact CD2-CB 4.06Å; P112-P115 HydrophobicContact CG-CB 4.11Å; P112-P115 HydrophobicContact CG-CG 4.02Å; P112-P115 WeakPolarHBondContact O-CD 3.48Å; P112-P115 WeakPolarHBondContact O-CG 3.46Å; P115-R117 VanDerWaalsContact C-N 3.31Å; P115-R117 PolarHBondContact O-N 2.85Å |
| 116 | E | 91.1 | Very high | 95 | Very high | 182 Ų | 182 | 53.4 Ų | 53.4 | 85% | 0.85 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24.8 | -178.7 | -62.6 | -165.9 | 171.9 | 0 | 0 | 113.2 | N114 | N114-E116 PolarHBondContact O-N 3.06Š|
| 117 | R | 91.2 | Very high | 95.2 | Very high | 193 Ų | 193 | 55 Ų | 55 | 73% | 0.728 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -3.8 | 178.9 | -61.6 | -165.9 | -177.8 | -168.3 | -2 | 113.9 | N114 P115 | N114-R117 HydrophobicContact CB-CB 4.41Å; N114-R117 WeakPolarHBondContact ND2-CD 3.4Å; N114-R117 PolarHBondContact O-N 3.42Å; N114-R117 VanDerWaalsContact O-N 3.14Å; N114-R117 PolarHBondContact OD1-N 3.43Å; P115-R117 VanDerWaalsContact C-N 3.31Å; P115-R117 PolarHBondContact O-N 2.85Å |
| 118 | F | 95.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | trans | -55.1 | 128.9 | -178.2 | -175.1 | -89.6 | 0 | 0 | 0 | 110.5 | A81 C84 F106 L107 P112 N114 F120 | A81-F118 HydrophobicContact CB-CZ 3.95Å; A81-F118 VanDerWaalsContact O-CE2 3.27Å; A81-F118 WeakPolarHBondContact O-CE2 3.39Å; C84-F118 HydrophobicContact CB-CE1 3.74Å; F106-F118 HydrophobicContact CD1-CE1 4.3Å; F106-F118 AromaticContact CE1-CD1 3.69Å; F106-F118 HydrophobicContact CE1-CD1 3.69Å; F106-F118 AromaticContact CE1-CE1 3.22Å; F106-F118 HydrophobicContact CE1-CE1 3.22Å; F106-F118 HydrophobicContact CE1-CE2 4.31Å; F106-F118 HydrophobicContact CE1-CG 4.41Å; F106-F118 AromaticContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CE1-CZ 3.58Å; F106-F118 HydrophobicContact CZ-CD1 4.4Å; F106-F118 AromaticContact CZ-CE1 3.5Å; F106-F118 HydrophobicContact CZ-CE1 3.5Å; F106-F118 HydrophobicContact CZ-CE2 4.39Å; F106-F118 AromaticContact CZ-CZ 3.49Å; F106-F118 HydrophobicContact CZ-CZ 3.49Å; F106-F118 VanDerWaalsContact CZ-CZ 3.49Å; L107-F118 HydrophobicContact CD2-CB 4.4Å; P112-F118 HydrophobicContact CB-CB 4.37Å; P112-F118 HydrophobicContact CB-CD2 3.47Å; P112-F118 VanDerWaalsContact CB-CD2 3.47Å; P112-F118 HydrophobicContact CB-CE2 4.12Å; P112-F118 HydrophobicContact CB-CG 4.15Å; P112-F118 HydrophobicContact CG-CB 4.19Å; P112-F118 HydrophobicContact CG-CD2 4.03Å; P112-F118 HydrophobicContact CG-CG 4.22Å; N114-F118 PolarHBondContact O-N 3.13Å; F118-F120 HydrophobicContact CB-CE2 4.2Å; F118-F120 AromaticContact CD1-CD2 3.9Å; F118-F120 HydrophobicContact CD1-CD2 3.9Å; F118-F120 HydrophobicContact CD1-CE1 4.36Å; F118-F120 AromaticContact CD1-CE2 3.54Å; F118-F120 HydrophobicContact CD1-CE2 3.54Å; F118-F120 HydrophobicContact CD1-CG 4.45Å; F118-F120 AromaticContact CD1-CZ 3.8Å; F118-F120 HydrophobicContact CD1-CZ 3.8Å; F118-F120 HydrophobicContact CE1-CE2 4.46Å; F118-F120 HydrophobicContact CE1-CZ 4.37Å; F118-F120 HydrophobicContact CG-CE2 4.31Å; F118-F120 VanDerWaalsContact O-CD2 3.24Å; F118-F120 WeakPolarHBondContact O-CD2 3.49Å; F118-F120 PolarHBondContact O-N 2.9Å; F118-F120 VanDerWaalsContact O-N 3.16Å | ||
| 119 | P | 97.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | trans | -70.3 | 114.4 | -174.9 | 26.2 | -34.5 | 0 | 0 | 0 | 111.6 | D82 C83 C84 V172 E176 | D82-P119 WeakPolarHBondContact O-CG 3.27Å; C83-P119 WeakPolarHBondContact CA-O 3.43Å; C83-P119 HydrophobicContact CB-CB 4.47Å; C83-P119 HydrophobicContact CB-CG 4.21Å; C83-P119 PolarHBondContact SG-O 2.67Å; C84-P119 PolarHBondContact N-O 2.63Å; P119-V172 HydrophobicContact CB-CB 4.13Å; P119-V172 HydrophobicContact CB-CG2 3.95Å; P119-E176 HydrophobicContact CG-CB 3.87Å; P119-E176 HydrophobicContact CG-CG 4.01Å | ||
| 120 | F | 98.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.2 | 166.8 | -70.5 | -88.2 | 0 | 0 | 0 | 110.7 | C84 L86 R103 F106 L107 F118 L149 P150 | C84-F120 HydrophobicContact CB-CD1 3.58Å; C84-F120 HydrophobicContact CB-CE1 3.56Å; C84-F120 CarbonylContact O-C 3.57Å; C84-F120 VanDerWaalsContact O-CA 3.28Å; C84-F120 WeakPolarHBondContact O-CA 3.45Å; L86-F120 HydrophobicContact CD1-CB 4.48Å; L86-F120 HydrophobicContact CD1-CD1 3.9Å; L86-F120 HydrophobicContact CD1-CG 4.46Å; L86-F120 HydrophobicContact CG-CD1 4.1Å; R103-F120 HydrophobicContact CG-CD1 4.46Å; R103-F120 HydrophobicContact CG-CE1 4Å; R103-F120 HydrophobicContact CG-CE2 4.25Å; R103-F120 HydrophobicContact CG-CZ 3.88Å; F106-F120 HydrophobicContact CB-CE1 4.46Å; F106-F120 AromaticContact CD1-CE1 3.61Å; F106-F120 HydrophobicContact CD1-CE1 3.61Å; F106-F120 AromaticContact CD1-CZ 3.48Å; F106-F120 HydrophobicContact CD1-CZ 3.48Å; F106-F120 VanDerWaalsContact CD1-CZ 3.48Å; F106-F120 HydrophobicContact CE1-CE1 4.13Å; F106-F120 AromaticContact CE1-CZ 3.95Å; F106-F120 HydrophobicContact CE1-CZ 3.95Å; F106-F120 HydrophobicContact CG-CE1 4.14Å; F106-F120 HydrophobicContact CG-CZ 4.37Å; L107-F120 HydrophobicContact CD1-CE2 4.44Å; L107-F120 HydrophobicContact CD1-CZ 4.47Å; L107-F120 HydrophobicContact CD2-CE2 3.7Å; L107-F120 HydrophobicContact CD2-CZ 3.67Å; L107-F120 HydrophobicContact CG-CE2 4.13Å; L107-F120 HydrophobicContact CG-CZ 3.82Å; F118-F120 HydrophobicContact CB-CE2 4.2Å; F118-F120 AromaticContact CD1-CD2 3.9Å; F118-F120 HydrophobicContact CD1-CD2 3.9Å; F118-F120 HydrophobicContact CD1-CE1 4.36Å; F118-F120 AromaticContact CD1-CE2 3.54Å; F118-F120 HydrophobicContact CD1-CE2 3.54Å; F118-F120 HydrophobicContact CD1-CG 4.45Å; F118-F120 AromaticContact CD1-CZ 3.8Å; F118-F120 HydrophobicContact CD1-CZ 3.8Å; F118-F120 HydrophobicContact CE1-CE2 4.46Å; F118-F120 HydrophobicContact CE1-CZ 4.37Å; F118-F120 HydrophobicContact CG-CE2 4.31Å; F118-F120 VanDerWaalsContact O-CD2 3.24Å; F118-F120 WeakPolarHBondContact O-CD2 3.49Å; F118-F120 PolarHBondContact O-N 2.9Å; F118-F120 VanDerWaalsContact O-N 3.16Å; F120-L149 HydrophobicContact CB-CD1 4Å; F120-L149 HydrophobicContact CB-CD2 4Å; F120-P150 WeakPolarHBondContact O-CD 3.26Å |
| 121 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.2 | 168.5 | -68.1 | 174 | 0 | 0 | 0 | 108.7 | C84 V85 L86 I123 P150 F152 I169 V172 | C84-I121 PolarHBondContact O-N 2.89Å; V85-I121 CarbonylContact C-O 3.49Å; V85-I121 WeakPolarHBondContact CA-O 3.39Å; L86-I121 PolarHBondContact N-O 3.37Å; I121-I123 HydrophobicContact CG2-CG1 4.37Å; I121-P150 HydrophobicContact CG1-CB 4.11Å; I121-P150 HydrophobicContact CG1-CG 4.16Å; I121-F152 HydrophobicContact CG2-CD2 3.91Å; I121-F152 HydrophobicContact CG2-CE2 4.12Å; I121-I169 HydrophobicContact CB-CG1 4.36Å; I121-I169 VanDerWaalsContact CD1-CA 3.48Å; I121-I169 HydrophobicContact CD1-CB 4.03Å; I121-I169 HydrophobicContact CD1-CG1 3.41Å; I121-I169 VanDerWaalsContact CD1-CG1 3.41Å; I121-I169 HydrophobicContact CG1-CG1 4.43Å; I121-I169 HydrophobicContact CG2-CG1 4.43Å; I121-V172 HydrophobicContact CD1-CG2 3.62Å; I121-V172 HydrophobicContact CG1-CG2 4.27Å |
| 122 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.8 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L86 Y88 L99 W142 L149 P150 Y151 F152 | L86-V122 HydrophobicContact CB-CG2 4.27Å; L86-V122 HydrophobicContact CD1-CG2 4.23Å; L86-V122 CarbonylContact O-C 3.37Å; L86-V122 WeakPolarHBondContact O-CA 3.44Å; Y88-V122 HydrophobicContact CD1-CG1 4.2Å; Y88-V122 HydrophobicContact CE1-CG1 4.03Å; L99-V122 HydrophobicContact CD1-CG1 4.11Å; V122-W142 HydrophobicContact CG2-CE3 4.34Å; V122-W142 HydrophobicContact CG2-CZ3 3.71Å; V122-L149 HydrophobicContact CG2-CB 4.37Å; V122-L149 HydrophobicContact CG2-CD1 4.15Å; V122-P150 PolarHBondContact N-O 3.48Å; V122-Y151 HydrophobicContact CB-CD2 3.95Å; V122-Y151 HydrophobicContact CG1-CD2 3.85Å; V122-Y151 HydrophobicContact CG1-CE2 4.18Å; V122-Y151 WeakPolarHBondContact O-CA 3.26Å; V122-Y151 WeakPolarHBondContact O-CD2 3.41Å; V122-F152 PolarHBondContact O-N 2.83Å |
| 123 | I | 98.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.4 | 174.6 | -60.8 | -178.5 | 0 | 0 | 0 | 109.8 | L24 V85 L86 V87 Y88 I121 N125 F152 C154 A165 | L24-I123 HydrophobicContact CD1-CG2 3.9Å; V85-I123 HydrophobicContact CG1-CD1 3.62Å; V85-I123 HydrophobicContact CG1-CG1 3.93Å; L86-I123 PolarHBondContact O-N 3.26Å; V87-I123 WeakPolarHBondContact CA-O 3.49Å; V87-I123 HydrophobicContact CG2-CB 4.45Å; Y88-I123 WeakPolarHBondContact CD1-O 3.48Å; Y88-I123 PolarHBondContact N-O 3Å; I121-I123 HydrophobicContact CG2-CG1 4.37Å; I123-N125 HydrophobicContact CG2-CB 4.48Å; I123-N125 PolarHBondContact O-N 3.14Å; I123-F152 CarbonylContact C-O 3.5Å; I123-F152 VanDerWaalsContact CA-O 3.3Å; I123-F152 WeakPolarHBondContact CA-O 3.3Å; I123-C154 HydrophobicContact CG2-CB 3.74Å; I123-A165 HydrophobicContact CD1-CB 3.92Å; I123-A165 HydrophobicContact CG1-CB 4.49Å |
| 124 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 101.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F152 E153 C154 | G124-F152 PolarHBondContact N-O 3.42Å; G124-E153 CarbonylContact O-C 3.6Å; G124-E153 VanDerWaalsContact O-CA 3.29Å; G124-E153 WeakPolarHBondContact O-CA 3.46Å; G124-C154 PolarHBondContact O-N 2.98Å |
| 125 | N | 98.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 164.5 | -177.8 | -168 | 32.4 | 0 | 0 | 0 | 112.4 | V19 L24 V87 Y88 V90 I123 C154 A156 | V19-N125 PolarHBondContact O-ND2 3.14Å; L24-N125 HydrophobicContact CD1-CB 4.15Å; V87-N125 HydrophobicContact CG1-CB 4.09Å; Y88-N125 PolarHBondContact O-N 3.34Å; V90-N125 WeakPolarHBondContact CG1-O 3.29Å; V90-N125 WeakPolarHBondContact CG2-O 3.43Å; V90-N125 PolarHBondContact N-O 3.17Å; I123-N125 HydrophobicContact CG2-CB 4.48Å; I123-N125 PolarHBondContact O-N 3.14Å; N125-C154 CarbonylContact C-O 3.49Å; N125-C154 VanDerWaalsContact CA-O 3.29Å; N125-C154 WeakPolarHBondContact CA-O 3.14Å; N125-C154 PolarHBondContact OD1-O 3.08Å; N125-A156 PolarHBondContact OD1-N 3.36Å |
| 126 | K | 98.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 23% | 0.226 | 28% | 0.277 | C | S | . | . | trans | 67.6 | 34.7 | -179.2 | -44.5 | -170 | -164.1 | 167.3 | 0 | 113.5 | G18 D89 V90 D128 L129 C154 | G18-K126 VanDerWaalsContact O-CE 3.3Å; G18-K126 WeakPolarHBondContact O-CE 3.28Å; G18-K126 PolarHBondContact O-NZ 3.49Å; D89-K126 VanDerWaalsContact OD2-CD 3.25Å; D89-K126 WeakPolarHBondContact OD2-CD 3.31Å; D89-K126 WeakPolarHBondContact OD2-CE 3.15Å; D89-K126 IonicContact OD2-NZ 3.27Å; D89-K126 PolarHBondContact OD2-NZ 2.98Å; V90-K126 WeakPolarHBondContact CG2-O 3.45Å; K126-D128 WeakPolarHBondContact CA-OD1 2.86Å; K126-D128 PolarHBondContact O-N 3.18Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 HydrophobicContact CB-CD1 3.9Å; K126-L129 HydrophobicContact CB-CG 4.2Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 PolarHBondContact O-N 3.42Å; K126-L129 VanDerWaalsContact O-N 3.12Å; K126-C154 PolarHBondContact N-O 3.12Å | ||
| 127 | C | 98.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -8.9 | 175.9 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | L129 E153 C154 | C127-L129 VanDerWaalsContact C-N 3.28Å; C127-E153 HydrophobicContact CB-CB 4.05Å; C127-C154 PolarHBondContact N-O 3.11Å; C127-C154 VanDerWaalsContact N-O 3.13Å; C127-C154 PolarHBondContact SG-O 3.03Å |
| 128 | D | 98 | Very high | 97.8 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.5 | 171.9 | 61.3 | -69.5 | 0 | 0 | 0 | 113.9 | K126 S155 K157 E158 | K126-D128 WeakPolarHBondContact CA-OD1 2.86Å; K126-D128 PolarHBondContact O-N 3.18Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-S155 WeakPolarHBondContact CB-OG 3.45Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.82Å; D128-K157 IonicContact OD2-NZ 3.54Å; D128-E158 HydrophobicContact CB-CB 4.42Å; D128-E158 HydrophobicContact CB-CG 3.58Å |
| 129 | L | 97.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 46.9 Ų | 46.9 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | trans | -90.9 | 135.3 | -179.7 | -59.3 | -178.7 | 0 | 0 | 0 | 111.8 | T91 K126 C127 N131 | T91-L129 HydrophobicContact CG2-CB 3.69Å; T91-L129 HydrophobicContact CG2-CD1 3.8Å; T91-L129 HydrophobicContact CG2-CG 4.35Å; K126-L129 HydrophobicContact CB-CD1 3.9Å; K126-L129 HydrophobicContact CB-CG 4.2Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 PolarHBondContact O-N 3.42Å; K126-L129 VanDerWaalsContact O-N 3.12Å; C127-L129 VanDerWaalsContact C-N 3.28Å; L129-N131 VanDerWaalsContact C-N 3.35Å; L129-N131 WeakPolarHBondContact CB-OD1 3.24Å; L129-N131 PolarHBondContact O-N 3.31Å | ||
| 130 | D | 94.8 | Very high | 98 | Very high | 168 Ų | 168 | 50.2 Ų | 50.2 | 90% | 0.898 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -73.3 | -23.4 | -177.6 | -65 | -44.8 | 0 | 0 | 0 | 113.7 | R132 | D130-R132 PolarHBondContact O-N 3.06Š|
| 131 | N | 96.1 | Very high | 98 | Very high | 107 Ų | 107 | 55.1 Ų | 55.1 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | trans | -81.8 | 47.5 | -176.8 | 66.5 | -48.1 | 0 | 0 | 0 | 113 | T91 L129 A133 | T91-N131 WeakPolarHBondContact CA-O 3.35Å; T91-N131 WeakPolarHBondContact CB-O 3.43Å; T91-N131 WeakPolarHBondContact CG2-OD1 3.28Å; L129-N131 VanDerWaalsContact C-N 3.35Å; L129-N131 WeakPolarHBondContact CB-OD1 3.24Å; L129-N131 PolarHBondContact O-N 3.31Å; N131-A133 PolarHBondContact O-N 2.81Å | ||
| 132 | R | 97.7 | Very high | 98 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | trans | -59.9 | 129.6 | 178.3 | 176.2 | 178.8 | -70 | -92.7 | 6.9 | 111.8 | D130 V134 E153 | D130-R132 PolarHBondContact O-N 3.06Å; R132-V134 WeakPolarHBondContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å; R132-V134 PolarHBondContact NH1-O 2.98Å; R132-E153 IonicContact CZ-OE1 2.67Å; R132-E153 IonicContact CZ-OE2 2.57Å; R132-E153 IonicContact NH1-OE1 2.63Å; R132-E153 PolarHBondContact NH1-OE1 3.14Å; R132-E153 IonicContact NH1-OE2 3.36Å; R132-E153 VanDerWaalsContact NH2-CD 3.31Å; R132-E153 IonicContact NH2-OE1 2.93Å; R132-E153 PolarHBondContact NH2-OE1 3.35Å; R132-E153 IonicContact NH2-OE2 2.65Å; R132-E153 PolarHBondContact NH2-OE2 3.26Å | ||
| 133 | A | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | trans | -109.2 | -20.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V90 T91 T93 N131 | V90-A133 PolarHBondContact O-N 2.9Å; T91-A133 VanDerWaalsContact O-CB 3.23Å; T91-A133 WeakPolarHBondContact O-CB 3.37Å; T93-A133 WeakPolarHBondContact OG1-CB 3.24Å; T93-A133 PolarHBondContact OG1-O 2.97Å; N131-A133 PolarHBondContact O-N 2.81Å | ||
| 134 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -117.5 | 116.2 | 177.7 | -175 | 0 | 0 | 0 | 0 | 109.4 | Y88 V90 F96 R132 | Y88-V134 HydrophobicContact CE2-CB 4.02Å; Y88-V134 HydrophobicContact CE2-CG1 3.98Å; Y88-V134 HydrophobicContact CE2-CG2 4.26Å; V90-V134 PolarHBondContact O-N 2.9Å; F96-V134 HydrophobicContact CB-CG1 4.45Å; F96-V134 HydrophobicContact CB-CG2 3.86Å; F96-V134 HydrophobicContact CD1-CG1 4.18Å; F96-V134 HydrophobicContact CD2-CG1 4.05Å; F96-V134 HydrophobicContact CE1-CG1 4.48Å; F96-V134 HydrophobicContact CE2-CG1 4.35Å; F96-V134 HydrophobicContact CG-CG1 3.95Å; F96-V134 HydrophobicContact CG-CG2 4.22Å; R132-V134 WeakPolarHBondContact CD-O 3.3Å; R132-V134 WeakPolarHBondContact CG-O 3.44Å; R132-V134 PolarHBondContact NH1-O 2.98Å |
| 135 | S | 97.9 | Very high | 97.9 | Very high | 59 Ų | 59 | 66.7 Ų | 66.7 | 41% | 0.413 | 35% | 0.348 | S | S | . | . | trans | -68.3 | 145.3 | 174.5 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | N137 R138 A139 | S135-N137 PolarHBondContact O-N 2.82Å; S135-R138 WeakPolarHBondContact O-CB 3.49Å; S135-R138 PolarHBondContact O-N 3.03Å; S135-R138 VanDerWaalsContact O-N 3.15Å; S135-R138 WeakPolarHBondContact OG-CB 3.45Å; S135-R138 PolarHBondContact OG-N 3.48Å; S135-A139 PolarHBondContact O-N 2.88Å | ||
| 136 | E | 97.8 | Very high | 97.7 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -53.3 | -40.7 | 173.8 | -163.4 | -170.1 | 170.2 | 0 | 0 | 112.2 | R138 A139 K140 Y151 E153 | E136-R138 PolarHBondContact O-N 2.82Å; E136-A139 PolarHBondContact O-N 3.14Å; E136-K140 VanDerWaalsContact CD-NZ 3.32Å; E136-K140 HydrophobicContact CG-CD 4.39Å; E136-K140 WeakPolarHBondContact O-CG 3.35Å; E136-K140 PolarHBondContact O-N 3.3Å; E136-K140 WeakPolarHBondContact OE1-CE 3.33Å; E136-K140 IonicContact OE1-NZ 3.88Å; E136-K140 PolarHBondContact OE1-NZ 2.86Å; E136-K140 IonicContact OE2-NZ 3.74Å; E136-Y151 HydrophobicContact CG-CE1 3.76Å; E136-E153 WeakPolarHBondContact CB-OE1 3.23Å; E136-E153 HydrophobicContact CG-CG 4.3Å |
| 137 | N | 98.2 | Very high | 97.5 | Very high | 104 Ų | 104 | 68.3 Ų | 68.3 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 179.6 | -169.3 | 6.6 | 0 | 0 | 0 | 112.2 | S135 A139 K140 Q141 | S135-N137 PolarHBondContact O-N 2.82Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 2.85Å; N137-K140 PolarHBondContact O-N 2.82Å; N137-Q141 WeakPolarHBondContact O-CG 3.44Å; N137-Q141 PolarHBondContact O-N 3.27Å |
| 138 | R | 98.3 | Very high | 97.4 | Very high | 103 Ų | 103 | 72.5 Ų | 72.5 | 39% | 0.389 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 175 | -179.5 | 178.3 | 178.9 | 176.9 | 2.5 | 112.2 | F96 S135 E136 Q141 W142 | F96-R138 HydrophobicContact CE1-CG 4.12Å; F96-R138 HydrophobicContact CZ-CG 4.44Å; S135-R138 WeakPolarHBondContact O-CB 3.49Å; S135-R138 PolarHBondContact O-N 3.03Å; S135-R138 VanDerWaalsContact O-N 3.15Å; S135-R138 WeakPolarHBondContact OG-CB 3.45Å; S135-R138 PolarHBondContact OG-N 3.48Å; E136-R138 PolarHBondContact O-N 2.82Å; R138-Q141 PolarHBondContact O-N 3.05Å; R138-W142 PolarHBondContact O-N 2.76Å; R138-W142 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y88 F96 S135 E136 N137 Q141 W142 C143 Y151 | Y88-A139 VanDerWaalsContact OH-CB 3.24Å; Y88-A139 WeakPolarHBondContact OH-CB 3.33Å; F96-A139 HydrophobicContact CE2-CB 3.86Å; F96-A139 HydrophobicContact CZ-CB 4.32Å; S135-A139 PolarHBondContact O-N 2.88Å; E136-A139 PolarHBondContact O-N 3.14Å; N137-A139 VanDerWaalsContact C-N 3.3Å; N137-A139 PolarHBondContact O-N 2.85Å; A139-Q141 PolarHBondContact O-N 2.88Å; A139-W142 PolarHBondContact O-N 2.67Å; A139-C143 PolarHBondContact O-N 2.97Å; A139-C143 PolarHBondContact O-SG 3.27Å; A139-Y151 HydrophobicContact CB-CD2 4.41Å; A139-Y151 HydrophobicContact CB-CE1 3.97Å; A139-Y151 HydrophobicContact CB-CE2 3.69Å; A139-Y151 VanDerWaalsContact CB-CZ 3.4Å; A139-Y151 VanDerWaalsContact CB-OH 3.31Å; A139-Y151 WeakPolarHBondContact CB-OH 3.2Å |
| 140 | K | 98.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.3 | -73.9 | 177.4 | 178.9 | 169.1 | 0 | 112.6 | E136 N137 W142 C143 Q144 Y151 | E136-K140 VanDerWaalsContact CD-NZ 3.32Å; E136-K140 HydrophobicContact CG-CD 4.39Å; E136-K140 WeakPolarHBondContact O-CG 3.35Å; E136-K140 PolarHBondContact O-N 3.3Å; E136-K140 WeakPolarHBondContact OE1-CE 3.33Å; E136-K140 IonicContact OE1-NZ 3.88Å; E136-K140 PolarHBondContact OE1-NZ 2.86Å; E136-K140 IonicContact OE2-NZ 3.74Å; N137-K140 PolarHBondContact O-N 2.82Å; K140-W142 VanDerWaalsContact C-N 3.35Å; K140-W142 PolarHBondContact O-N 2.81Å; K140-C143 PolarHBondContact O-N 2.93Å; K140-Q144 WeakPolarHBondContact O-CG 3.48Å; K140-Q144 PolarHBondContact O-N 3.18Å; K140-Y151 HydrophobicContact CG-CD1 3.65Å; K140-Y151 HydrophobicContact CG-CE1 4.09Å |
| 141 | Q | 98.6 | Very high | 97.6 | Very high | 107 Ų | 107 | 63.7 Ų | 63.7 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 175.8 | -74.4 | 174.4 | -10.7 | 0 | 0 | 111.9 | N137 R138 A139 C143 Q144 A145 | N137-Q141 WeakPolarHBondContact O-CG 3.44Å; N137-Q141 PolarHBondContact O-N 3.27Å; R138-Q141 PolarHBondContact O-N 3.05Å; A139-Q141 PolarHBondContact O-N 2.88Å; Q141-C143 VanDerWaalsContact C-N 3.34Å; Q141-C143 PolarHBondContact O-N 2.57Å; Q141-Q144 PolarHBondContact O-N 3.34Å; Q141-A145 WeakPolarHBondContact O-CB 3.29Å; Q141-A145 PolarHBondContact O-N 2.87Å |
| 142 | W | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.8 | -175.3 | 95.2 | 0 | 0 | 0 | 111.4 | L86 F96 L99 D100 V122 R138 A139 K140 Q144 A145 N146 L149 | L86-W142 HydrophobicContact CD1-CH2 4.1Å; L86-W142 HydrophobicContact CD1-CZ3 4.48Å; F96-W142 HydrophobicContact CE1-CB 4.44Å; F96-W142 HydrophobicContact CE2-CB 4.42Å; F96-W142 HydrophobicContact CZ-CB 3.62Å; F96-W142 AromaticContact CZ-CG 3.89Å; F96-W142 HydrophobicContact CZ-CG 3.89Å; L99-W142 HydrophobicContact CB-CH2 4.13Å; L99-W142 HydrophobicContact CB-CZ2 3.89Å; D100-W142 VanDerWaalsContact OD1-CZ2 3.29Å; D100-W142 WeakPolarHBondContact OD1-CZ2 3.31Å; D100-W142 PolarHBondContact OD1-NE1 2.77Å; D100-W142 PolarHBondContact OD2-NE1 3.01Å; V122-W142 HydrophobicContact CG2-CE3 4.34Å; V122-W142 HydrophobicContact CG2-CZ3 3.71Å; R138-W142 PolarHBondContact O-N 2.76Å; R138-W142 VanDerWaalsContact O-N 3.1Å; A139-W142 PolarHBondContact O-N 2.67Å; K140-W142 VanDerWaalsContact C-N 3.35Å; K140-W142 PolarHBondContact O-N 2.81Å; W142-Q144 PolarHBondContact O-N 3.04Å; W142-A145 PolarHBondContact O-N 3.49Å; W142-N146 VanDerWaalsContact CD2-ND2 3.33Å; W142-N146 HydrophobicContact CE3-CB 4.37Å; W142-N146 HydrophobicContact CH2-CB 4.23Å; W142-N146 HydrophobicContact CZ2-CB 4.48Å; W142-N146 HydrophobicContact CZ3-CB 4.17Å; W142-N146 PolarHBondContact NE1-ND2 2.76Å; W142-N146 WeakPolarHBondContact O-CB 3.4Å; W142-N146 PolarHBondContact O-N 3.17Å; W142-N146 PolarHBondContact O-ND2 2.81Å; W142-L149 HydrophobicContact CH2-CD1 4.42Å; W142-L149 HydrophobicContact CZ3-CD1 3.91Å |
| 143 | C | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -40 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | A139 K140 Q141 N146 N148 L149 | A139-C143 PolarHBondContact O-N 2.97Å; A139-C143 PolarHBondContact O-SG 3.27Å; K140-C143 PolarHBondContact O-N 2.93Å; Q141-C143 VanDerWaalsContact C-N 3.34Å; Q141-C143 PolarHBondContact O-N 2.57Å; C143-N146 PolarHBondContact O-N 3.25Å; C143-N148 VanDerWaalsContact O-CA 3.27Å; C143-N148 WeakPolarHBondContact O-CA 3.42Å; C143-N148 PolarHBondContact O-N 2.65Å; C143-L149 HydrophobicContact CB-CB 4.17Å; C143-L149 WeakPolarHBondContact CB-O 3.46Å; C143-L149 PolarHBondContact O-N 3.06Å |
| 144 | Q | 97.9 | Very high | 97.8 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 174.4 | -74.4 | 171.7 | -3.9 | 0 | 0 | 111.7 | K140 Q141 W142 N146 N148 | K140-Q144 WeakPolarHBondContact O-CG 3.48Å; K140-Q144 PolarHBondContact O-N 3.18Å; Q141-Q144 PolarHBondContact O-N 3.34Å; W142-Q144 PolarHBondContact O-N 3.04Å; Q144-N146 PolarHBondContact O-N 2.74Å; Q144-N148 PolarHBondContact O-N 3Å |
| 145 | A | 97.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 70% | 0.702 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.2 | -25.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q141 W142 | Q141-A145 WeakPolarHBondContact O-CB 3.29Å; Q141-A145 PolarHBondContact O-N 2.87Å; W142-A145 PolarHBondContact O-N 3.49Å |
| 146 | N | 95.8 | Very high | 97.9 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 31.6 | -174.9 | -76.6 | -75.9 | 0 | 0 | 0 | 114.1 | R103 W142 C143 Q144 L149 | R103-N146 PolarHBondContact NH1-OD1 3.25Å; R103-N146 PolarHBondContact NH2-O 3.49Å; W142-N146 VanDerWaalsContact CD2-ND2 3.33Å; W142-N146 HydrophobicContact CE3-CB 4.37Å; W142-N146 HydrophobicContact CH2-CB 4.23Å; W142-N146 HydrophobicContact CZ2-CB 4.48Å; W142-N146 HydrophobicContact CZ3-CB 4.17Å; W142-N146 PolarHBondContact NE1-ND2 2.76Å; W142-N146 WeakPolarHBondContact O-CB 3.4Å; W142-N146 PolarHBondContact O-N 3.17Å; W142-N146 PolarHBondContact O-ND2 2.81Å; C143-N146 PolarHBondContact O-N 3.25Å; Q144-N146 PolarHBondContact O-N 2.74Å; N146-L149 HydrophobicContact CB-CD1 4.05Å; N146-L149 HydrophobicContact CB-CG 4.46Å; N146-L149 WeakPolarHBondContact O-CD2 3.48Å; N146-L149 VanDerWaalsContact O-CG 3.29Å; N146-L149 WeakPolarHBondContact O-CG 3.13Å |
| 147 | G | 94 | Very high | 97.9 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | 24.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L149 | G147-L149 PolarHBondContact O-N 2.78Š|
| 148 | N | 96.1 | Very high | 97.8 | Very high | 122 Ų | 122 | 51.9 Ų | 51.9 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 55.6 | 48.3 | -179.3 | -166.6 | 48.8 | 0 | 0 | 0 | 113.1 | C143 Q144 | C143-N148 VanDerWaalsContact O-CA 3.27Å; C143-N148 WeakPolarHBondContact O-CA 3.42Å; C143-N148 PolarHBondContact O-N 2.65Å; Q144-N148 PolarHBondContact O-N 3Å |
| 149 | L | 97.4 | Very high | 97.8 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -66 | 138.6 | -175.6 | -53.3 | -178.2 | 0 | 0 | 0 | 111.4 | F120 V122 W142 C143 N146 G147 Y151 | F120-L149 HydrophobicContact CB-CD1 4Å; F120-L149 HydrophobicContact CB-CD2 4Å; V122-L149 HydrophobicContact CG2-CB 4.37Å; V122-L149 HydrophobicContact CG2-CD1 4.15Å; W142-L149 HydrophobicContact CH2-CD1 4.42Å; W142-L149 HydrophobicContact CZ3-CD1 3.91Å; C143-L149 HydrophobicContact CB-CB 4.17Å; C143-L149 WeakPolarHBondContact CB-O 3.46Å; C143-L149 PolarHBondContact O-N 3.06Å; N146-L149 HydrophobicContact CB-CD1 4.05Å; N146-L149 HydrophobicContact CB-CG 4.46Å; N146-L149 WeakPolarHBondContact O-CD2 3.48Å; N146-L149 VanDerWaalsContact O-CG 3.29Å; N146-L149 WeakPolarHBondContact O-CG 3.13Å; G147-L149 PolarHBondContact O-N 2.78Å; L149-Y151 PolarHBondContact O-N 3.36Å | ||
| 150 | P | 98 | Very high | 97.8 | Very high | 38 Ų | 38 | 53 Ų | 53 | 25% | 0.247 | 29% | 0.288 | C | S | . | . | trans | -59.7 | 137.6 | 170.2 | -20.2 | 30.7 | 0 | 0 | 0 | 111.3 | F120 I121 V122 F152 H168 | F120-P150 WeakPolarHBondContact O-CD 3.26Å; I121-P150 HydrophobicContact CG1-CB 4.11Å; I121-P150 HydrophobicContact CG1-CG 4.16Å; V122-P150 PolarHBondContact N-O 3.48Å; P150-F152 HydrophobicContact CB-CE2 4.13Å; P150-H168 VanDerWaalsContact CG-CE1 3.45Å; P150-H168 WeakPolarHBondContact CG-CE1 3.23Å | ||
| 151 | Y | 98.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 52.1 Ų | 52.1 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.5 | -175.3 | 174.6 | -112.3 | 0 | 0 | 0 | 111.7 | Y88 V122 E136 A139 K140 L149 E153 | Y88-Y151 AromaticContact CE1-CE2 3.98Å; Y88-Y151 HydrophobicContact CE1-CE2 3.98Å; Y88-Y151 PolarHBondContact OH-OH 3.4Å; V122-Y151 HydrophobicContact CB-CD2 3.95Å; V122-Y151 HydrophobicContact CG1-CD2 3.85Å; V122-Y151 HydrophobicContact CG1-CE2 4.18Å; V122-Y151 WeakPolarHBondContact O-CA 3.26Å; V122-Y151 WeakPolarHBondContact O-CD2 3.41Å; E136-Y151 HydrophobicContact CG-CE1 3.76Å; A139-Y151 HydrophobicContact CB-CD2 4.41Å; A139-Y151 HydrophobicContact CB-CE1 3.97Å; A139-Y151 HydrophobicContact CB-CE2 3.69Å; A139-Y151 VanDerWaalsContact CB-CZ 3.4Å; A139-Y151 VanDerWaalsContact CB-OH 3.31Å; A139-Y151 WeakPolarHBondContact CB-OH 3.2Å; K140-Y151 HydrophobicContact CG-CD1 3.65Å; K140-Y151 HydrophobicContact CG-CE1 4.09Å; L149-Y151 PolarHBondContact O-N 3.36Å; Y151-E153 HydrophobicContact CE1-CG 3.92Å; Y151-E153 WeakPolarHBondContact OH-CG 3.36Å; Y151-E153 PolarHBondContact OH-OE1 2.87Å |
| 152 | F | 98.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.1 | 176.4 | -61.1 | -91.6 | 0 | 0 | 0 | 110.4 | I121 V122 I123 G124 P150 K164 A165 H168 | I121-F152 HydrophobicContact CG2-CD2 3.91Å; I121-F152 HydrophobicContact CG2-CE2 4.12Å; V122-F152 PolarHBondContact O-N 2.83Å; I123-F152 CarbonylContact C-O 3.5Å; I123-F152 VanDerWaalsContact CA-O 3.3Å; I123-F152 WeakPolarHBondContact CA-O 3.3Å; G124-F152 PolarHBondContact N-O 3.42Å; P150-F152 HydrophobicContact CB-CE2 4.13Å; F152-K164 HydrophobicContact CD1-CD 4.49Å; F152-K164 HydrophobicContact CD1-CG 4.5Å; F152-K164 HydrophobicContact CE1-CD 4.17Å; F152-K164 HydrophobicContact CE1-CG 4Å; F152-A165 HydrophobicContact CB-CB 4.09Å; F152-A165 HydrophobicContact CD1-CB 4.3Å; F152-A165 HydrophobicContact CD2-CB 4.1Å; F152-A165 HydrophobicContact CG-CB 3.89Å; F152-H168 HydrophobicContact CE2-CB 3.9Å; F152-H168 AromaticContact CE2-CG 3.92Å; F152-H168 HydrophobicContact CZ-CB 3.59Å; F152-H168 AromaticContact CZ-CD2 3.72Å; F152-H168 AromaticContact CZ-CG 3.65Å |
| 153 | E | 98.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.1 | 159.8 | -69.5 | -163.4 | 164.6 | 0 | 0 | 109.6 | G124 C127 R132 E136 Y151 N161 | G124-E153 CarbonylContact O-C 3.6Å; G124-E153 VanDerWaalsContact O-CA 3.29Å; G124-E153 WeakPolarHBondContact O-CA 3.46Å; C127-E153 HydrophobicContact CB-CB 4.05Å; R132-E153 IonicContact CZ-OE1 2.67Å; R132-E153 IonicContact CZ-OE2 2.57Å; R132-E153 IonicContact NH1-OE1 2.63Å; R132-E153 PolarHBondContact NH1-OE1 3.14Å; R132-E153 IonicContact NH1-OE2 3.36Å; R132-E153 VanDerWaalsContact NH2-CD 3.31Å; R132-E153 IonicContact NH2-OE1 2.93Å; R132-E153 PolarHBondContact NH2-OE1 3.35Å; R132-E153 IonicContact NH2-OE2 2.65Å; R132-E153 PolarHBondContact NH2-OE2 3.26Å; E136-E153 WeakPolarHBondContact CB-OE1 3.23Å; E136-E153 HydrophobicContact CG-CG 4.3Å; Y151-E153 HydrophobicContact CE1-CG 3.92Å; Y151-E153 WeakPolarHBondContact OH-CG 3.36Å; Y151-E153 PolarHBondContact OH-OE1 2.87Å; E153-N161 VanDerWaalsContact O-CB 3.27Å; E153-N161 WeakPolarHBondContact O-CB 3.23Å; E153-N161 PolarHBondContact O-ND2 3.06Å |
| 154 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.1 | -178 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | L24 I123 G124 N125 K126 C127 T160 | L24-C154 HydrophobicContact CD2-CB 3.81Å; I123-C154 HydrophobicContact CG2-CB 3.74Å; G124-C154 PolarHBondContact O-N 2.98Å; N125-C154 CarbonylContact C-O 3.49Å; N125-C154 VanDerWaalsContact CA-O 3.29Å; N125-C154 WeakPolarHBondContact CA-O 3.14Å; N125-C154 PolarHBondContact OD1-O 3.08Å; K126-C154 PolarHBondContact N-O 3.12Å; C127-C154 PolarHBondContact N-O 3.11Å; C127-C154 VanDerWaalsContact N-O 3.13Å; C127-C154 PolarHBondContact SG-O 3.03Å; C154-T160 VanDerWaalsContact CA-O 3.23Å; C154-T160 WeakPolarHBondContact CA-O 3.33Å |
| 155 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -123 | 112.4 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | D128 K157 E158 N159 T160 | D128-S155 WeakPolarHBondContact CB-OG 3.45Å; D128-S155 VanDerWaalsContact OD1-CB 3.26Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.82Å; S155-K157 PolarHBondContact O-N 3.5Å; S155-K157 PolarHBondContact OG-N 2.99Å; S155-E158 PolarHBondContact OG-N 2.98Å; S155-N159 CarbonylContact O-C 3.57Å; S155-N159 VanDerWaalsContact O-CA 3.26Å; S155-N159 WeakPolarHBondContact O-CA 3.2Å; S155-N159 PolarHBondContact O-N 3.42Å; S155-T160 PolarHBondContact N-O 2.83Å; S155-T160 PolarHBondContact O-N 3.45Å |
| 156 | A | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L24 Q27 F33 N125 | L24-A156 HydrophobicContact CD2-CB 3.97Å; L24-A156 HydrophobicContact CG-CB 4.16Å; Q27-A156 WeakPolarHBondContact CG-O 3.5Å; F33-A156 HydrophobicContact CD2-CB 4.22Å; F33-A156 HydrophobicContact CE2-CB 4.43Å; N125-A156 PolarHBondContact OD1-N 3.36Å |
| 157 | K | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 45.6 Ų | 45.6 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -49.2 | -178.6 | 177.7 | 168.2 | 161.3 | -82.8 | 0 | 112.2 | F33 D128 S155 N159 | F33-K157 HydrophobicContact CD1-CB 4.1Å; F33-K157 HydrophobicContact CD1-CG 3.94Å; F33-K157 HydrophobicContact CD2-CB 4.18Å; F33-K157 HydrophobicContact CE1-CB 3.82Å; F33-K157 HydrophobicContact CE1-CD 3.86Å; F33-K157 HydrophobicContact CE1-CG 3.66Å; F33-K157 HydrophobicContact CE2-CB 3.93Å; F33-K157 HydrophobicContact CG-CB 4.26Å; F33-K157 HydrophobicContact CZ-CB 3.75Å; F33-K157 HydrophobicContact CZ-CD 4.15Å; F33-K157 HydrophobicContact CZ-CG 4.06Å; D128-K157 IonicContact OD2-NZ 3.54Å; S155-K157 PolarHBondContact O-N 3.5Å; S155-K157 PolarHBondContact OG-N 2.99Å; K157-N159 VanDerWaalsContact C-N 3.33Å |
| 158 | E | 97.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 10.6 | -177.8 | -56.6 | -56.7 | 148.9 | 0 | 0 | 112.7 | D128 S155 T160 | D128-E158 HydrophobicContact CB-CB 4.42Å; D128-E158 HydrophobicContact CB-CG 3.58Å; S155-E158 PolarHBondContact OG-N 2.98Å; E158-T160 PolarHBondContact O-N 2.82Å |
| 159 | N | 98 | Very high | 98.2 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31.8 | -175.8 | -166 | 39.8 | 0 | 0 | 0 | 114 | Q27 S155 K157 | Q27-N159 HydrophobicContact CG-CB 4.35Å; Q27-N159 WeakPolarHBondContact CG-OD1 3.46Å; Q27-N159 PolarHBondContact NE2-OD1 3.09Å; S155-N159 CarbonylContact O-C 3.57Å; S155-N159 VanDerWaalsContact O-CA 3.26Å; S155-N159 WeakPolarHBondContact O-CA 3.2Å; S155-N159 PolarHBondContact O-N 3.42Å; K157-N159 VanDerWaalsContact C-N 3.33Å |
| 160 | T | 98.6 | Very high | 98.1 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 34% | 0.344 | 20% | 0.199 | S | C | . | . | B | Isolated β-bridge | trans | -81.5 | 124.9 | -177.1 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | C154 S155 E158 V162 | C154-T160 VanDerWaalsContact CA-O 3.23Å; C154-T160 WeakPolarHBondContact CA-O 3.33Å; S155-T160 PolarHBondContact N-O 2.83Å; S155-T160 PolarHBondContact O-N 3.45Å; E158-T160 PolarHBondContact O-N 2.82Å; T160-V162 PolarHBondContact O-N 3.21Å |
| 161 | N | 98.5 | Very high | 98.1 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 57.6 | 5.4 | 178.5 | -66.3 | -38.1 | 0 | 0 | 0 | 116.9 | E153 K164 A165 | E153-N161 VanDerWaalsContact O-CB 3.27Å; E153-N161 WeakPolarHBondContact O-CB 3.23Å; E153-N161 PolarHBondContact O-ND2 3.06Å; N161-K164 PolarHBondContact O-N 3.21Å; N161-A165 WeakPolarHBondContact O-CB 3.14Å; N161-A165 PolarHBondContact O-N 2.81Å |
| 162 | V | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -54.4 | -177 | 178.8 | 0 | 0 | 0 | 0 | 111 | L24 Q27 T160 K164 A165 F166 | L24-V162 HydrophobicContact CD2-CG2 4.06Å; Q27-V162 HydrophobicContact CB-CG1 4.47Å; Q27-V162 HydrophobicContact CG-CG1 4.29Å; Q27-V162 HydrophobicContact CG-CG2 4.15Å; T160-V162 PolarHBondContact O-N 3.21Å; V162-K164 VanDerWaalsContact C-N 3.27Å; V162-K164 PolarHBondContact O-N 3.16Å; V162-A165 PolarHBondContact O-N 2.87Å; V162-F166 HydrophobicContact CG1-CD2 4.04Å; V162-F166 HydrophobicContact CG1-CE2 4.18Å; V162-F166 WeakPolarHBondContact O-CD2 3.3Å; V162-F166 PolarHBondContact O-N 2.97Å |
| 163 | E | 97.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 29% | 0.29 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.9 | -40 | 177.5 | -60.8 | -53.7 | 122.2 | 0 | 0 | 112.5 | Y28 K31 F166 A167 | Y28-E163 WeakPolarHBondContact CD2-OE1 3.5Å; Y28-E163 WeakPolarHBondContact CE2-OE2 3.5Å; K31-E163 IonicContact NZ-OE1 2.67Å; K31-E163 PolarHBondContact NZ-OE1 3.42Å; K31-E163 IonicContact NZ-OE2 3.64Å; K31-E163 PolarHBondContact NZ-OE2 3.3Å; E163-F166 PolarHBondContact O-N 3.41Å; E163-A167 VanDerWaalsContact O-CB 3.3Å; E163-A167 WeakPolarHBondContact O-CB 3.15Å; E163-A167 PolarHBondContact O-N 2.86Å |
| 164 | K | 98.1 | Very high | 97.5 | Very high | 135 Ų | 135 | 36.1 Ų | 36.1 | 59% | 0.587 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64.7 | -43.7 | -178.8 | -172.1 | -176.5 | 179.8 | -176.9 | 0 | 111.3 | F152 N161 V162 H168 | F152-K164 HydrophobicContact CD1-CD 4.49Å; F152-K164 HydrophobicContact CD1-CG 4.5Å; F152-K164 HydrophobicContact CE1-CD 4.17Å; F152-K164 HydrophobicContact CE1-CG 4Å; N161-K164 PolarHBondContact O-N 3.21Å; V162-K164 VanDerWaalsContact C-N 3.27Å; V162-K164 PolarHBondContact O-N 3.16Å; K164-H168 PolarHBondContact O-N 2.89Å; K164-H168 VanDerWaalsContact O-N 3.13Å |
| 165 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | I123 F152 N161 V162 H168 I169 | I123-A165 HydrophobicContact CD1-CB 3.92Å; I123-A165 HydrophobicContact CG1-CB 4.49Å; F152-A165 HydrophobicContact CB-CB 4.09Å; F152-A165 HydrophobicContact CD1-CB 4.3Å; F152-A165 HydrophobicContact CD2-CB 4.1Å; F152-A165 HydrophobicContact CG-CB 3.89Å; N161-A165 WeakPolarHBondContact O-CB 3.14Å; N161-A165 PolarHBondContact O-N 2.81Å; V162-A165 PolarHBondContact O-N 2.87Å; A165-H168 WeakPolarHBondContact O-CB 3.34Å; A165-H168 PolarHBondContact O-N 2.65Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.41Å; A165-I169 PolarHBondContact O-N 3.2Å |
| 166 | F | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -35.4 | 178.8 | -83.5 | -88.7 | 0 | 0 | 0 | 113.6 | I25 Y28 M59 I61 V162 E163 H168 I169 I170 | I25-F166 HydrophobicContact CG1-CZ 4.32Å; Y28-F166 HydrophobicContact CD1-CB 3.96Å; Y28-F166 AromaticContact CD1-CD1 3.28Å; Y28-F166 HydrophobicContact CD1-CD1 3.28Å; Y28-F166 AromaticContact CD1-CD2 3.89Å; Y28-F166 HydrophobicContact CD1-CD2 3.89Å; Y28-F166 AromaticContact CD1-CE1 3.62Å; Y28-F166 HydrophobicContact CD1-CE1 3.62Å; Y28-F166 HydrophobicContact CD1-CE2 4.18Å; Y28-F166 AromaticContact CD1-CG 3.44Å; Y28-F166 HydrophobicContact CD1-CG 3.44Å; Y28-F166 VanDerWaalsContact CD1-CG 3.44Å; Y28-F166 HydrophobicContact CD1-CZ 4.05Å; Y28-F166 HydrophobicContact CD2-CB 3.58Å; Y28-F166 HydrophobicContact CD2-CD1 4.41Å; Y28-F166 AromaticContact CD2-CD2 3.87Å; Y28-F166 HydrophobicContact CD2-CD2 3.87Å; Y28-F166 AromaticContact CD2-CG 3.71Å; Y28-F166 HydrophobicContact CD2-CG 3.71Å; Y28-F166 HydrophobicContact CE1-CB 3.71Å; Y28-F166 AromaticContact CE1-CD1 3.38Å; Y28-F166 HydrophobicContact CE1-CD1 3.38Å; Y28-F166 HydrophobicContact CE1-CD2 4.49Å; Y28-F166 HydrophobicContact CE1-CE1 4.09Å; Y28-F166 AromaticContact CE1-CG 3.62Å; Y28-F166 HydrophobicContact CE1-CG 3.62Å; Y28-F166 HydrophobicContact CE2-CB 3.36Å; Y28-F166 AromaticContact CE2-CG 3.94Å; Y28-F166 HydrophobicContact CE2-CG 3.94Å; Y28-F166 HydrophobicContact CG-CB 3.9Å; Y28-F166 AromaticContact CG-CD1 3.84Å; Y28-F166 HydrophobicContact CG-CD1 3.84Å; Y28-F166 AromaticContact CG-CD2 3.53Å; Y28-F166 HydrophobicContact CG-CD2 3.53Å; Y28-F166 HydrophobicContact CG-CE1 4.22Å; Y28-F166 AromaticContact CG-CE2 3.94Å; Y28-F166 HydrophobicContact CG-CE2 3.94Å; Y28-F166 AromaticContact CG-CG 3.47Å; Y28-F166 HydrophobicContact CG-CG 3.47Å; Y28-F166 VanDerWaalsContact CG-CG 3.47Å; Y28-F166 HydrophobicContact CG-CZ 4.26Å; Y28-F166 VanDerWaalsContact CZ-CB 3.42Å; Y28-F166 AromaticContact CZ-CG 3.89Å; M59-F166 HydrophobicContact CE-CD1 4.08Å; I61-F166 HydrophobicContact CD1-CD1 4.34Å; I61-F166 HydrophobicContact CD1-CE1 3.86Å; V162-F166 HydrophobicContact CG1-CD2 4.04Å; V162-F166 HydrophobicContact CG1-CE2 4.18Å; V162-F166 WeakPolarHBondContact O-CD2 3.3Å; V162-F166 PolarHBondContact O-N 2.97Å; E163-F166 PolarHBondContact O-N 3.41Å; F166-H168 VanDerWaalsContact C-N 3.29Å; F166-H168 PolarHBondContact O-N 2.94Å; F166-I169 HydrophobicContact CD1-CD1 4.04Å; F166-I169 HydrophobicContact CE1-CD1 4.36Å; F166-I169 HydrophobicContact CG-CD1 4.19Å; F166-I169 WeakPolarHBondContact O-CB 3.49Å; F166-I169 PolarHBondContact O-N 3.24Å; F166-I170 WeakPolarHBondContact O-CG1 3.5Å; F166-I170 PolarHBondContact O-N 3.32Å |
| 167 | A | 97 | Very high | 96 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F52 E163 I170 G171 | F52-A167 WeakPolarHBondContact CE2-O 3.25Å; E163-A167 VanDerWaalsContact O-CB 3.3Å; E163-A167 WeakPolarHBondContact O-CB 3.15Å; E163-A167 PolarHBondContact O-N 2.86Å; A167-I170 PolarHBondContact O-N 3.13Å; A167-G171 PolarHBondContact O-N 2.9Å; A167-G171 VanDerWaalsContact O-N 3.11Å |
| 168 | H | 97.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.356 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.4 | -35.6 | 175.6 | -160.2 | -69.2 | 0 | 0 | 0 | 112.4 | P150 F152 K164 A165 F166 I170 G171 V172 | P150-H168 VanDerWaalsContact CG-CE1 3.45Å; P150-H168 WeakPolarHBondContact CG-CE1 3.23Å; F152-H168 HydrophobicContact CE2-CB 3.9Å; F152-H168 AromaticContact CE2-CG 3.92Å; F152-H168 HydrophobicContact CZ-CB 3.59Å; F152-H168 AromaticContact CZ-CD2 3.72Å; F152-H168 AromaticContact CZ-CG 3.65Å; K164-H168 PolarHBondContact O-N 2.89Å; K164-H168 VanDerWaalsContact O-N 3.13Å; A165-H168 WeakPolarHBondContact O-CB 3.34Å; A165-H168 PolarHBondContact O-N 2.65Å; F166-H168 VanDerWaalsContact C-N 3.29Å; F166-H168 PolarHBondContact O-N 2.94Å; H168-I170 VanDerWaalsContact C-N 3.33Å; H168-G171 PolarHBondContact O-N 2.99Å; H168-V172 WeakPolarHBondContact O-CG2 3.41Å; H168-V172 PolarHBondContact O-N 2.93Å; H168-V172 VanDerWaalsContact O-N 3.09Å |
| 169 | I | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 172 | -69.6 | 159.4 | 0 | 0 | 0 | 110.8 | I11 M59 C83 V85 I121 A165 F166 V172 A173 | I11-I169 HydrophobicContact CD1-CG2 3.7Å; I11-I169 HydrophobicContact CG1-CG2 4.02Å; I11-I169 HydrophobicContact CG2-CG2 3.74Å; M59-I169 HydrophobicContact CE-CG2 4.42Å; C83-I169 HydrophobicContact CB-CG2 4.48Å; V85-I169 HydrophobicContact CG1-CD1 4.3Å; V85-I169 HydrophobicContact CG2-CD1 3.46Å; V85-I169 VanDerWaalsContact CG2-CD1 3.46Å; V85-I169 HydrophobicContact CG2-CG1 3.91Å; V85-I169 HydrophobicContact CG2-CG2 4.46Å; I121-I169 HydrophobicContact CB-CG1 4.36Å; I121-I169 VanDerWaalsContact CD1-CA 3.48Å; I121-I169 HydrophobicContact CD1-CB 4.03Å; I121-I169 HydrophobicContact CD1-CG1 3.41Å; I121-I169 VanDerWaalsContact CD1-CG1 3.41Å; I121-I169 HydrophobicContact CG1-CG1 4.43Å; I121-I169 HydrophobicContact CG2-CG1 4.43Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.41Å; A165-I169 PolarHBondContact O-N 3.2Å; F166-I169 HydrophobicContact CD1-CD1 4.04Å; F166-I169 HydrophobicContact CE1-CD1 4.36Å; F166-I169 HydrophobicContact CG-CD1 4.19Å; F166-I169 WeakPolarHBondContact O-CB 3.49Å; F166-I169 PolarHBondContact O-N 3.24Å; I169-V172 WeakPolarHBondContact O-CG2 3.45Å; I169-A173 VanDerWaalsContact O-CB 3.24Å; I169-A173 WeakPolarHBondContact O-CB 3.49Å; I169-A173 PolarHBondContact O-N 3.39Å; I169-A173 VanDerWaalsContact O-N 3.11Å |
| 170 | I | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 176.9 | -64.7 | 164.7 | 0 | 0 | 0 | 110.7 | L9 F52 V57 M59 F166 A167 H168 A173 I174 | L9-I170 HydrophobicContact CD1-CG2 4.15Å; F52-I170 HydrophobicContact CB-CG2 3.85Å; F52-I170 HydrophobicContact CD1-CG2 3.88Å; F52-I170 HydrophobicContact CD2-CB 4.1Å; F52-I170 HydrophobicContact CD2-CD1 4.41Å; F52-I170 HydrophobicContact CD2-CG2 3.64Å; F52-I170 HydrophobicContact CE1-CG2 4.33Å; F52-I170 HydrophobicContact CE2-CB 4.23Å; F52-I170 HydrophobicContact CE2-CG2 4.12Å; F52-I170 HydrophobicContact CG-CB 4.44Å; F52-I170 HydrophobicContact CG-CG2 3.51Å; F52-I170 HydrophobicContact CZ-CG2 4.44Å; V57-I170 HydrophobicContact CG1-CG2 4.24Å; V57-I170 HydrophobicContact CG2-CG2 4.24Å; M59-I170 HydrophobicContact CE-CD1 4.27Å; M59-I170 HydrophobicContact CE-CG1 3.68Å; M59-I170 HydrophobicContact CG-CG1 4.24Å; M59-I170 HydrophobicContact SD-CD1 3.51Å; M59-I170 VanDerWaalsContact SD-CD1 3.51Å; M59-I170 HydrophobicContact SD-CG1 3.45Å; M59-I170 WeakPolarHBondContact SD-CG1 3.24Å; F166-I170 WeakPolarHBondContact O-CG1 3.5Å; F166-I170 PolarHBondContact O-N 3.32Å; A167-I170 PolarHBondContact O-N 3.13Å; H168-I170 VanDerWaalsContact C-N 3.33Å; I170-A173 PolarHBondContact O-N 3.42Å; I170-I174 HydrophobicContact CG2-CD1 3.61Å; I170-I174 HydrophobicContact CG2-CG1 4.31Å; I170-I174 WeakPolarHBondContact O-CB 3.39Å; I170-I174 VanDerWaalsContact O-CG1 3.27Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.35Å |
| 171 | G | 96.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.1 | -54.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A167 H168 A173 I174 D175 | A167-G171 PolarHBondContact O-N 2.9Å; A167-G171 VanDerWaalsContact O-N 3.11Å; H168-G171 PolarHBondContact O-N 2.99Å; G171-A173 VanDerWaalsContact C-N 3.34Å; G171-A173 PolarHBondContact O-N 3.18Å; G171-I174 PolarHBondContact O-N 2.89Å; G171-D175 PolarHBondContact O-N 2.81Å; G171-D175 VanDerWaalsContact O-N 3.1Å |
| 172 | V | 95.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -33.7 | -177.4 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | P119 I121 H168 I169 D175 E176 | P119-V172 HydrophobicContact CB-CB 4.13Å; P119-V172 HydrophobicContact CB-CG2 3.95Å; I121-V172 HydrophobicContact CD1-CG2 3.62Å; I121-V172 HydrophobicContact CG1-CG2 4.27Å; H168-V172 WeakPolarHBondContact O-CG2 3.41Å; H168-V172 PolarHBondContact O-N 2.93Å; H168-V172 VanDerWaalsContact O-N 3.09Å; I169-V172 WeakPolarHBondContact O-CG2 3.45Å; V172-D175 PolarHBondContact O-N 3.42Å; V172-E176 PolarHBondContact O-N 3.05Å; V172-E176 VanDerWaalsContact O-N 3.13Å |
| 173 | A | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -34.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 I11 D82 C83 I169 I170 G171 E177 | L9-A173 HydrophobicContact CD1-CB 3.99Å; L9-A173 HydrophobicContact CD2-CB 4.08Å; L9-A173 HydrophobicContact CG-CB 4.43Å; I11-A173 HydrophobicContact CD1-CB 3.94Å; D82-A173 HydrophobicContact CB-CB 4.12Å; C83-A173 HydrophobicContact CB-CB 3.89Å; I169-A173 VanDerWaalsContact O-CB 3.24Å; I169-A173 WeakPolarHBondContact O-CB 3.49Å; I169-A173 PolarHBondContact O-N 3.39Å; I169-A173 VanDerWaalsContact O-N 3.11Å; I170-A173 PolarHBondContact O-N 3.42Å; G171-A173 VanDerWaalsContact C-N 3.34Å; G171-A173 PolarHBondContact O-N 3.18Å; A173-E177 PolarHBondContact O-N 2.96Å |
| 174 | I | 93.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 173.2 | -74.7 | 174 | 0 | 0 | 0 | 111.6 | I7 L9 F52 V57 I170 G171 E176 E177 S178 | I7-I174 HydrophobicContact CD1-CG1 4.43Å; L9-I174 HydrophobicContact CD1-CD1 4.5Å; L9-I174 HydrophobicContact CD1-CG1 3.84Å; L9-I174 HydrophobicContact CD2-CG1 4.29Å; F52-I174 HydrophobicContact CD1-CD1 3.67Å; F52-I174 HydrophobicContact CE1-CD1 4.23Å; F52-I174 HydrophobicContact CG-CD1 4.36Å; V57-I174 HydrophobicContact CG2-CD1 3.93Å; I170-I174 HydrophobicContact CG2-CD1 3.61Å; I170-I174 HydrophobicContact CG2-CG1 4.31Å; I170-I174 WeakPolarHBondContact O-CB 3.39Å; I170-I174 VanDerWaalsContact O-CG1 3.27Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.35Å; G171-I174 PolarHBondContact O-N 2.89Å; I174-E176 VanDerWaalsContact C-N 3.3Å; I174-E177 PolarHBondContact O-N 2.98Å; I174-S178 WeakPolarHBondContact O-CB 3.39Å; I174-S178 PolarHBondContact O-N 3.07Å; I174-S178 PolarHBondContact O-OG 3.24Å |
| 175 | D | 91 | Very high | 84.7 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 179.1 | -70 | -18.1 | 0 | 0 | 0 | 110.7 | G171 V172 S178 A179 | G171-D175 PolarHBondContact O-N 2.81Å; G171-D175 VanDerWaalsContact O-N 3.1Å; V172-D175 PolarHBondContact O-N 3.42Å; D175-S178 PolarHBondContact O-N 3.02Å; D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 2.97Å |
| 176 | E | 87.9 | Confident | 82.2 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 174.3 | -179.1 | 61.7 | -166.6 | 0 | 0 | 112.7 | P119 V172 I174 S178 A179 T180 | P119-E176 HydrophobicContact CG-CB 3.87Å; P119-E176 HydrophobicContact CG-CG 4.01Å; V172-E176 PolarHBondContact O-N 3.05Å; V172-E176 VanDerWaalsContact O-N 3.13Å; I174-E176 VanDerWaalsContact C-N 3.3Å; E176-S178 VanDerWaalsContact C-N 3.29Å; E176-S178 PolarHBondContact O-N 3.41Å; E176-A179 PolarHBondContact O-N 2.86Å; E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 3.21Å; E176-T180 PolarHBondContact O-OG1 2.77Å |
| 177 | E | 84.7 | Confident | 79.8 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.6 | -169.9 | -88.2 | 176.1 | 0 | 0 | 111.2 | A173 I174 T180 N181 | A173-E177 PolarHBondContact O-N 2.96Å; I174-E177 PolarHBondContact O-N 2.98Å; E177-T180 PolarHBondContact O-N 2.96Å; E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 VanDerWaalsContact O-N 3.08Å; E177-N181 PolarHBondContact O-ND2 3.17Å; E177-N181 PolarHBondContact OE1-ND2 3.11Å; E177-N181 PolarHBondContact OE2-ND2 2.59Å |
| 178 | S | 84.7 | Confident | 77.6 | Confident | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | -180 | -58 | 0 | 0 | 0 | 0 | 111.5 | I174 D175 E176 T180 N181 L182 | I174-S178 WeakPolarHBondContact O-CB 3.39Å; I174-S178 PolarHBondContact O-N 3.07Å; I174-S178 PolarHBondContact O-OG 3.24Å; D175-S178 PolarHBondContact O-N 3.02Å; E176-S178 VanDerWaalsContact C-N 3.29Å; E176-S178 PolarHBondContact O-N 3.41Å; S178-T180 VanDerWaalsContact C-N 3.33Å; S178-T180 PolarHBondContact O-N 2.87Å; S178-N181 PolarHBondContact O-N 3.29Å; S178-L182 WeakPolarHBondContact O-CG 3.4Å; S178-L182 PolarHBondContact O-N 2.67Å; S178-L182 VanDerWaalsContact O-N 3.15Å |
| 179 | A | 79.2 | Confident | 75.4 | Confident | 43 Ų | 43 | 68 Ų | 68 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D175 E176 L182 H183 | D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 2.97Å; E176-A179 PolarHBondContact O-N 2.86Å; A179-L182 PolarHBondContact O-N 2.79Å; A179-H183 PolarHBondContact O-CD2 2.82Å; A179-H183 VanDerWaalsContact O-CD2 3.25Å; A179-H183 PolarHBondContact O-N 3.32Å |
| 180 | T | 76.3 | Confident | 73.1 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 24% | 0.239 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | E176 E177 S178 S184 | E176-T180 WeakPolarHBondContact O-CB 3.47Å; E176-T180 PolarHBondContact O-N 3.21Å; E176-T180 PolarHBondContact O-OG1 2.77Å; E177-T180 PolarHBondContact O-N 2.96Å; S178-T180 VanDerWaalsContact C-N 3.33Å; S178-T180 PolarHBondContact O-N 2.87Å; T180-S184 PolarHBondContact O-N 3.31Å |
| 181 | N | 74.3 | Confident | 70.8 | Confident | 62 Ų | 62 | 85.8 Ų | 85.8 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.4 | -39.4 | 177.3 | -74.1 | -34.7 | 0 | 0 | 0 | 112.8 | E177 S178 H183 S184 | E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 VanDerWaalsContact O-N 3.08Å; E177-N181 PolarHBondContact O-ND2 3.17Å; E177-N181 PolarHBondContact OE1-ND2 3.11Å; E177-N181 PolarHBondContact OE2-ND2 2.59Å; S178-N181 PolarHBondContact O-N 3.29Å; N181-H183 VanDerWaalsContact C-N 3.25Å; N181-H183 PolarHBondContact O-N 2.64Å; N181-S184 PolarHBondContact O-N 3Å; N181-S184 PolarHBondContact O-OG 3.5Å |
| 182 | L | 64.1 | Low | 68.3 | Low | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -33.4 | 178.1 | -75.8 | 163.5 | 0 | 0 | 0 | 112.4 | S178 A179 | S178-L182 WeakPolarHBondContact O-CG 3.4Å; S178-L182 PolarHBondContact O-N 2.67Å; S178-L182 VanDerWaalsContact O-N 3.15Å; A179-L182 PolarHBondContact O-N 2.79Å |
| 183 | H | 59.3 | Low | 65.8 | Low | 153 Ų | 153 | 94.4 Ų | 94.4 | 71% | 0.708 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.6 | -27.6 | 176.9 | -81.9 | -64.3 | 0 | 0 | 0 | 113.5 | A179 N181 D185 | A179-H183 PolarHBondContact O-CD2 2.82Å; A179-H183 VanDerWaalsContact O-CD2 3.25Å; A179-H183 PolarHBondContact O-N 3.32Å; N181-H183 VanDerWaalsContact C-N 3.25Å; N181-H183 PolarHBondContact O-N 2.64Å; H183-D185 VanDerWaalsContact C-N 3.27Å; H183-D185 PolarHBondContact O-N 3.12Å |
| 184 | S | 57.9 | Low | 63.4 | Low | 74 Ų | 74 | 100 Ų | 100 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72 | -19.6 | 176.2 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | T180 N181 Y186 | T180-S184 PolarHBondContact O-N 3.31Å; N181-S184 PolarHBondContact O-N 3Å; N181-S184 PolarHBondContact O-OG 3.5Å; S184-Y186 PolarHBondContact O-N 2.93Å |
| 185 | D | 51.5 | Low | 61.1 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -4.1 | -178.4 | -73.3 | -23.6 | 0 | 0 | 0 | 113.9 | H183 P187 | H183-D185 VanDerWaalsContact C-N 3.27Å; H183-D185 PolarHBondContact O-N 3.12Å; D185-P187 VanDerWaalsContact C-CD 3.47Å; D185-P187 WeakPolarHBondContact O-CD 3.2Å |
| 186 | Y | 47.3 | Very low | 58.9 | Low | 190 Ų | 190 | 112.2 Ų | 112.2 | 75% | 0.745 | 60% | 0.599 | S | S | * | * | trans | -107.3 | 84.5 | 171.1 | -68.2 | -89.5 | 0 | 0 | 0 | 110.2 | S184 D188 | S184-Y186 PolarHBondContact O-N 2.93Å; Y186-D188 PolarHBondContact O-N 3.13Å; Y186-D188 VanDerWaalsContact O-N 3.14Å | ||
| 187 | P | 47.3 | Very low | 56.7 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | trans | -65.2 | 116.4 | 165.3 | 26.6 | -29.9 | 0 | 0 | 0 | 107.5 | D185 S189 | D185-P187 VanDerWaalsContact C-CD 3.47Å; D185-P187 WeakPolarHBondContact O-CD 3.2Å; P187-S189 PolarHBondContact O-N 3.24Å | ||
| 188 | D | 50 | Low | 54.5 | Low | 150 Ų | 150 | 126.6 Ų | 126.6 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | -48.8 | 102.3 | 171 | -80.2 | -38.9 | 0 | 0 | 0 | 109 | Y186 I190 | Y186-D188 PolarHBondContact O-N 3.13Å; Y186-D188 VanDerWaalsContact O-N 3.14Å; D188-I190 VanDerWaalsContact C-N 3.25Å; D188-I190 PolarHBondContact O-N 3.27Å | ||
| 189 | S | 51.7 | Low | 52.4 | Low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | trans | -69.3 | 91.4 | 170.5 | 57.3 | 0 | 0 | 0 | 0 | 107.6 | P187 R191 | P187-S189 PolarHBondContact O-N 3.24Å; S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 3.45Å | ||
| 190 | I | 50.5 | Low | 50.7 | Low | 142 Ų | 142 | 137 Ų | 137 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | trans | -62.9 | 98.8 | 170.1 | -61.1 | 172.5 | 0 | 0 | 0 | 106.6 | D188 L192 | D188-I190 VanDerWaalsContact C-N 3.25Å; D188-I190 PolarHBondContact O-N 3.27Å; I190-L192 HydrophobicContact CG2-CD2 4.48Å; I190-L192 HydrophobicContact CG2-CG 4.32Å; I190-L192 PolarHBondContact O-N 2.93Å; I190-L192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | R | 47.4 | Very low | 49.2 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | -73.7 | 94.9 | 170.7 | -67.9 | -175.8 | -178.1 | 178.9 | 0.2 | 107.9 | S189 G193 | S189-R191 VanDerWaalsContact C-N 3.34Å; S189-R191 PolarHBondContact O-N 3.45Å; R191-G193 PolarHBondContact O-N 3.24Å | ||
| 192 | L | 43.3 | Very low | 47.6 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | -67.5 | 100.4 | 165.5 | -71.1 | 164.6 | 0 | 0 | 0 | 107.6 | I190 T194 | I190-L192 HydrophobicContact CG2-CD2 4.48Å; I190-L192 HydrophobicContact CG2-CG 4.32Å; I190-L192 PolarHBondContact O-N 2.93Å; I190-L192 VanDerWaalsContact O-N 3.08Å; L192-T194 PolarHBondContact O-N 2.58Å; L192-T194 VanDerWaalsContact O-N 3.16Å | ||
| 193 | G | 43.9 | Very low | 46.1 | Very low | 71 Ų | 71 | 152.2 Ų | 152.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -67.1 | 106.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R191 E195 | R191-G193 PolarHBondContact O-N 3.24Å; G193-E195 PolarHBondContact O-N 3.32Å | ||
| 194 | T | 44.8 | Very low | 45.4 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 97.6 | 164.5 | 42.1 | 0 | 0 | 0 | 0 | 107.9 | L192 E196 | L192-T194 PolarHBondContact O-N 2.58Å; L192-T194 VanDerWaalsContact O-N 3.16Å; T194-E196 PolarHBondContact O-N 3.43Å | ||
| 195 | E | 45.9 | Very low | 45.2 | Very low | 192 Ų | 192 | 162.3 Ų | 162.3 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -74.3 | 75.3 | 165.4 | -71.5 | -175.1 | 168.8 | 0 | 0 | 109.3 | G193 Q197 | G193-E195 PolarHBondContact O-N 3.32Å; E195-Q197 PolarHBondContact O-N 3.13Å | ||
| 196 | E | 44.4 | Very low | 44.9 | Very low | 174 Ų | 174 | 164.3 Ų | 164.3 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -88.5 | 87.6 | 158 | -76.8 | -180 | 167.4 | 0 | 0 | 107.4 | T194 | T194-E196 PolarHBondContact O-N 3.43Š| ||
| 197 | Q | 42.2 | Very low | 44.8 | Very low | 193 Ų | 193 | 162.9 Ų | 162.9 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | -104.6 | 78.1 | 160.9 | -82.7 | -173 | -19.5 | 0 | 0 | 109 | E195 N199 | E195-Q197 PolarHBondContact O-N 3.13Å; Q197-N199 PolarHBondContact O-N 3.19Å | ||
| 198 | E | 39.5 | Very low | 44.7 | Very low | 184 Ų | 184 | 165.8 Ų | 165.8 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | trans | -64.4 | 114.1 | 146.5 | -73.6 | -175.7 | 145.7 | 0 | 0 | 108.2 | ||||
| 199 | N | 40.1 | Very low | 44.3 | Very low | 131 Ų | 131 | 166.8 Ų | 166.8 | 70% | 0.701 | 85% | 0.849 | S | S | * | * | trans | -163.3 | 110.1 | 134.6 | -115.9 | -21.2 | 0 | 0 | 0 | 112.2 | Q197 | Q197-N199 PolarHBondContact O-N 3.19Š| ||
| 200 | Q | 42.3 | Very low | 43.9 | Very low | 172 Ų | 172 | 171.1 Ų | 171.1 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | 37.1 | 94 | 128.3 | -63.2 | -179.9 | -4.8 | 0 | 0 | 116.9 | |||||
| 201 | D | 46 | Very low | 43.4 | Very low | 157 Ų | 157 | 173 Ų | 173 | 84% | 0.84 | 87% | 0.869 | S | S | * | * | trans | -161.6 | 81.7 | 154 | -103.4 | -21.5 | 0 | 0 | 0 | 110.9 | ||||
| 202 | R | 41.1 | Very low | 43.2 | Very low | 250 Ų | 250 | 168.8 Ų | 168.8 | 94% | 0.943 | 87% | 0.868 | S | S | * | * | trans | -144.5 | 71.6 | 157.6 | -69.9 | -162.6 | -176.8 | -175.6 | 2.8 | 111.4 | R204 | R202-R204 PolarHBondContact O-N 3.44Š| ||
| 203 | C | 32.5 | Very low | 43.2 | Very low | 128 Ų | 128 | 170 Ų | 170 | 87% | 0.865 | 87% | 0.873 | S | S | * | * | trans | -70.1 | 112 | 150.9 | -167.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 204 | R | 44.3 | Very low | 43.1 | Very low | 235 Ų | 235 | 178.3 Ų | 178.3 | 89% | 0.887 | 89% | 0.885 | S | S | * | * | trans | -141.5 | 129.2 | 158.8 | -77.7 | -165 | 177.3 | -174.3 | -1.3 | 109.1 | R202 | R202-R204 PolarHBondContact O-N 3.44Š| ||
| 205 | C | 54.1 | Low | 42.9 | Very low | 204 Ų | 204 | 183.6 Ų | 183.6 | 100% | 1.378 | 90% | 0.899 | S | S | * | * | trans | -45.4 | 0 | -179.5 | -39.5 | 0 | 0 | 0 | 0 | 114.5 |
Retrieved 205 of 205 residues in 545.1 ms
(Link to these results)